UCSF

ZINC05045086

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 29 No

Popular Name: 3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-1-(2-methoxyethyl)-4-(4-methylbenzoyl)-5H-pyrrol-2-one 3-hydroxy-5-(4-hydroxy-3-methoxy…

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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) 2.15 5.4 -63 1 7 -1 99 396.419 7 ↓
Mid Mid (pH 6-8) 2.60 4.3 -31.81 2 7 0 96 397.427 6 ↓
Mid Mid (pH 6-8) 1.57 5.29 -26.03 1 7 0 93 397.427 7 ↓

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