UCSF

ZINC09462583

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 36 No

Popular Name: 5-(4-chlorophenyl)-3-hydroxy-1-(3-methoxypropyl)-4-[4-(m-tolylmethoxy)benzoyl]-5H-pyrrol-2-one 5-(4-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) 5.39 12.38 -59.67 0 6 -1 79 504.99 10 ↓
Mid Mid (pH 6-8) 5.83 11.32 -30.76 1 6 0 76 505.998 9 ↓
Mid Mid (pH 6-8) 4.80 12.3 -26.22 0 6 0 73 505.998 10 ↓

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