UCSF

ZINC09375234

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 30 No

Popular Name: 5-(4-bromophenyl)-4-(2,4-dimethylthiazol-5-yl)carbonyl-3-hydroxy-1-(3-pyridylmethyl)-5H-pyrrol-2-one 5-(4-bromophenyl)-4-(2,4-dimethy…

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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) 2.46 9.48 -41.2 0 6 -1 86 483.367 5 ↓
Mid Mid (pH 6-8) 2.90 8.19 -31.06 1 6 0 83 484.375 4 ↓
Mid Mid (pH 6-8) 1.87 9.22 -21.6 0 6 0 80 484.375 5 ↓
Lo Low (pH 4.5-6) 2.46 8.79 -48.21 2 6 1 85 485.383 5 ↓
Lo Low (pH 4.5-6) 1.87 9.49 -55.14 1 6 1 81 485.383 5 ↓

Activity (Go SEA)

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