UCSF

ZINC09453955

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 38 No

Popular Name: 3-hydroxy-5-(4-hydroxyphenyl)-4-[4-(o-tolylmethoxy)benzoyl]-1-(3-pyridylmethyl)-5H-pyrrol-2-one 3-hydroxy-5-(4-hydroxyphenyl)-4-…

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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) 4.11 10.5 -45.42 1 7 -1 103 505.55 8 ↓
Mid Mid (pH 6-8) 4.56 9.89 -35.03 2 7 0 100 506.558 7 ↓
Mid Mid (pH 6-8) 3.53 10.92 -25.4 1 7 0 97 506.558 8 ↓
Lo Low (pH 4.5-6) 4.56 10.17 -61.72 3 7 1 101 507.566 7 ↓
Lo Low (pH 4.5-6) 3.53 11.2 -62.32 2 7 1 98 507.566 8 ↓

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