UCSF

ZINC04312257

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 31 No

Popular Name: 4-benzoyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-pyrrol-2-one 4-benzoyl-5-(3,4-dimethoxyphenyl…

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Other Names:

MFCD01926112

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) 2.40 7.54 -67.66 0 7 -1 88 422.457 7 ↓
Mid Mid (pH 6-8) 2.85 0 -19.84 1 7 0 85 423.465 6 ↓
Mid Mid (pH 6-8) 1.81 -0.43 -13.11 0 7 0 82 423.465 7 ↓

Activity (Go SEA)

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