UCSF

ZINC01136919

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 32 No

Popular Name: (5R)-5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3-hydroxy-1-phenethyl-4-(2-thenoyl)-3-pyrrolin-2-one (5R)-5-(3-bromo-4-hydroxy-5-meth…

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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) 4.39 8.12 -13.97 2 6 0 87 514.397 7 ↓
Mid Mid (pH 6-8) 3.80 8.93 -20.89 1 6 0 84 514.397 7 ↓

Activity (Go SEA)

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