UCSF

ZINC00702714

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 32 No

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

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Other Names:

MFCD03861397

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) 2.84 9.44 -53.29 0 7 -1 92 436.415 7 ↓
Mid Mid (pH 6-8) 3.29 1.53 -29.32 1 7 0 89 437.423 6 ↓
Mid Mid (pH 6-8) 2.26 1.82 -24.21 0 7 0 86 437.423 7 ↓

Activity (Go SEA)

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