m. aliffatqah

Muhammad Aliffatqah (092210101087) Nama Bahan Log P pKa BM MR Fenol 4- metilfenol 4- klorofenol Nipagin Nipasol Sulfadiazin Sulfamerazi n 1,64 2,13 2,43 1,96 -0,66 0 0,92 -0,66 -0,17 0,88 9,86 10,05 9,4 8,47 10,43 6,48 - 10,43 - - 94,1130 108,1399 128,5578 166,1766 172,2078 250,2812 264,3080 172,2078 214,2482 310,3337 27,09 32,99 31,70 44,14 43,69 64,62 69,56 43,69 53,36 79,30

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kimia medisional

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Muhammad Aliffatqah (092210101087)

Nama Bahan Log P pKa BM MRFenol4-metilfenol4-klorofenolNipaginNipasolSulfadiazinSulfamerazinSulfanilamidSulfaguanidinSulfadoksin

1,642,132,431,96-0,6600,92-0,66-0,170,88

9,8610,059,48,4710,436,48-10,43--

94,1130108,1399128,5578166,1766172,2078250,2812264,3080172,2078214,2482310,3337

27,0932,9931,7044,1443,6964,6269,5643,6953,3679,30

Menggambar Struktur Kimia Senyawa

Menggambar Struktur Senyawa Dari Template

Amino Acid

DNA

RNA

Menggambar dengan Convert to Structure

Menggambar Struktur Kimia 3D dan Mengukur Energi Minimal

Asetosal

------------MM2 Minimization------------

Pi System: 6 5 4 3 7 2 1 8

Warning: Some parameters are guessed (Quality = 1).

Iteration 259: Minimization terminated normally because the gradient norm is less than the minimum gradient norm

Stretch: 0.7367

Bend: 3.1385

Stretch-Bend: 0.0802

Torsion: -7.7286

Non-1,4 VDW: -0.5232

1,4 VDW: 5.4803

Dipole/Dipole: 6.8366

Total: 8.0206

------------------------------------

Metampiron

------------MM2 Minimization------------

Pi System: 14 13 12 10 9 8 7 11 15 16

Pi System: 5 2 6

Warning: Some parameters are guessed (Quality = 1).

Iteration 289: Minimization terminated normally because the gradient norm is less than the minimum gradient norm

Stretch: 0.5554

Bend: 3.2530

Stretch-Bend: 0.0088

Torsion: 0.0000

Non-1,4 VDW: 8.1999

1,4 VDW: 10.7662

Charge/Charge: -102.7409

Charge/Dipole: -7.9956

Dipole/Dipole: 0.6544

Total: -87.2987

------------------------------------

Asam Mefenamat

------------MM2 Minimization------------

Pi System: 14 13 5 6 8 1 7 2 4 3 10 12 11 15 16

Warning: Some parameters are guessed (Quality = 1).

Iteration 76: Minimization terminated normally because the gradient norm is less than the minimum gradient norm

Stretch: 2.0095

Bend: 8.5320

Stretch-Bend: 0.3215

Torsion: -16.4447

Non-1,4 VDW: 3.1999

1,4 VDW: 6.5026

Dipole/Dipole: 1.6742

Total: 5.7948

------------------------------------

Phenobarbital

------------MM2 Minimization------------

Pi System: 13 12 11 10 14 15

Warning: Some parameters are guessed (Quality = 1).

Iteration 2: Minimization terminated normally because the gradient norm is less than the minimum gradient norm

Stretch: 1.1126

Bend: 3.2145

Stretch-Bend: 0.1779

Torsion: 2.9311

Non-1,4 VDW: -2.2219

1,4 VDW: 0.9052

Dipole/Dipole: 6.5556

Total: 12.6750

------------------------------------

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