UCSF

ZINC13424158

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 33 No

Popular Name: (5S)-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one (5S)-5-(3,4-dimethoxyphenyl)-3-h…

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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) 2.64 9.6 -63.75 0 7 -1 92 443.479 7 ↓
Mid Mid (pH 6-8) 3.08 8.63 -28.47 1 7 0 89 444.487 6 ↓
Mid Mid (pH 6-8) 2.05 9.67 -20.51 0 7 0 86 444.487 7 ↓
Lo Low (pH 4.5-6) 2.64 9.23 -55.84 2 7 1 90 445.495 7 ↓
Lo Low (pH 4.5-6) 2.05 9.95 -65.01 1 7 1 87 445.495 7 ↓

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