UCSF

ZINC02867235

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 32 Yes

Popular Name: (4S)-4-[(4-acetamidophenyl)sulfonylamino]-5-keto-1-(p-tolyl)-4-(trifluoromethyl)-2-imidazolin-2-olat (4S)-4-[(4-acetamidophenyl)sulfo…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.83 0.42 -42.8 2 9 -1 131 469.421 6 ↓
Hi High (pH 8-9.5) 1.83 0.33 -128.39 1 9 -2 133 468.413 6 ↓
Hi High (pH 8-9.5) 2.20 2.63 -46.15 2 9 -1 127 469.421 6 ↓
Mid Mid (pH 6-8) 1.83 -0.29 -18.64 3 9 0 128 470.429 6 ↓
Mid Mid (pH 6-8) 2.20 2.69 -16.04 3 9 0 125 470.429 6 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )