UCSF

ZINC01019486

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 32 No

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

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Other Names:

MFCD05884251

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) 3.13 10.38 -61.5 0 7 -1 92 432.452 7 ↓
Mid Mid (pH 6-8) 3.58 1.12 -28.56 1 7 0 89 433.46 6 ↓
Mid Mid (pH 6-8) 2.54 1.34 -22.06 0 7 0 86 433.46 7 ↓

Activity (Go SEA)

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