UCSF

ZINC17824159

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2008 28 No

Popular Name: (3Z)-5-bromo-3-[(2Z)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-thiazolidin-5-ylidene]indolin-2-one (3Z)-5-bromo-3-[(2Z)-4-oxo-2-[3-…

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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) 6.07 7.41 -8.75 2 5 0 78 468.254 2 ↓
Ref Reference (pH 7) 5.58 7.34 -41.68 1 5 -1 77 467.246 3 ↓
Mid Mid (pH 6-8) 6.98 4.3 -96.25 0 5 -2 84 466.238 2 ↓
Mid Mid (pH 6-8) 6.52 6.28 -39.44 1 5 -1 81 467.246 2 ↓
Mid Mid (pH 6-8) 6.52 5.87 -38.23 1 5 -1 81 467.246 2 ↓
Mid Mid (pH 6-8) 6.03 5.41 -99.2 0 5 -2 80 466.238 3 ↓
Mid Mid (pH 6-8) 6.52 5.46 -37.73 1 5 -1 81 467.246 2 ↓
Mid Mid (pH 6-8) 6.52 5.6 -42.24 1 5 -1 81 467.246 2 ↓
Mid Mid (pH 6-8) 6.98 3.62 -98.23 0 5 -2 84 466.238 2 ↓

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