UCSF

ZINC04955332

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 30 No

Popular Name: 5-(4-ethylphenyl)-3-hydroxy-1-(2-methoxyethyl)-4-(4-methoxy-3-methyl-benzoyl)-5H-pyrrol-2-one 5-(4-ethylphenyl)-3-hydroxy-1-(2…

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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) 3.71 9.11 -63.59 0 6 -1 79 408.474 8 ↓
Mid Mid (pH 6-8) 4.16 0.29 -24.09 1 6 0 76 409.482 7 ↓
Mid Mid (pH 6-8) 3.13 0.53 -21.21 0 6 0 72 409.482 8 ↓

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