UCSF

ZINC00702368

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 35 No

Popular Name: 4-(4-ethoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(2-phenylethyl)-1,5-dihydro-2H-pyrrol-2-one 4-(4-ethoxybenzoyl)-3-hydroxy-5-…

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Other Names:

MFCD03783727

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) 3.95 10.21 -42.48 1 7 -1 99 472.517 9 ↓
Mid Mid (pH 6-8) 4.40 -1.48 -29.91 2 7 0 96 473.525 8 ↓
Mid Mid (pH 6-8) 3.37 -1.24 -22.16 1 7 0 93 473.525 9 ↓

Activity (Go SEA)

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