UCSF

ZINC01052642

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2004 31 No

Popular Name: (5R)-4-(benzofuran-2-carbonyl)-1-(4,5-dimethylthiazol-2-yl)-2-keto-5-phenyl-3-pyrrolin-3-olate (5R)-4-(benzofuran-2-carbonyl)-1…

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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) 4.14 11 -59.81 0 6 -1 86 429.477 4 ↓
Mid Mid (pH 6-8) 3.55 -0.38 -19.7 0 6 0 80 430.485 4 ↓

Activity (Go SEA)

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