UCSF

ZINC05921172

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 34 No

Popular Name: 5-(3,4-dimethoxyphenyl)-4-(4-ethoxybenzoyl)-1-(2-furylmethyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one 5-(3,4-dimethoxyphenyl)-4-(4-eth…

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Other Names:

MFCD03861396

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) 3.11 9.17 -42.6 0 8 -1 101 462.478 9 ↓
Mid Mid (pH 6-8) 3.56 0.85 -29.45 1 8 0 98 463.486 8 ↓
Mid Mid (pH 6-8) 2.53 1.08 -22.99 0 8 0 95 463.486 9 ↓

Activity (Go SEA)

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