UCSF

ZINC05045116

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 26 No

Popular Name: 5-(3-chlorophenyl)-3-hydroxy-1-(2-methoxyethyl)-4-[(5-methyl-2-furyl)carbonyl]-5H-pyrrol-2-one 5-(3-chlorophenyl)-3-hydroxy-1-(…

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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) 2.50 7.16 -60.11 0 6 -1 83 374.8 6 ↓
Mid Mid (pH 6-8) 1.91 7.16 -21.48 0 6 0 77 375.808 6 ↓
Mid Mid (pH 6-8) 2.94 6.13 -33.49 1 6 0 80 375.808 5 ↓

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