UCSF

ZINC16736876

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 34 No

Popular Name: (5R)-4-(2,5-dimethylbenzoyl)-3-hydroxy-1-thiazol-2-yl-5-(3,4,5-trimethoxyphenyl)-5H-pyrrol-2-one (5R)-4-(2,5-dimethylbenzoyl)-3-h…

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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) 3.59 9.82 -44.81 0 8 -1 101 479.534 7 ↓
Mid Mid (pH 6-8) 4.03 8.37 -22.97 1 8 0 98 480.542 6 ↓
Mid Mid (pH 6-8) 3.00 9.71 -17.84 0 8 0 95 480.542 7 ↓

Activity (Go SEA)

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