UCSF

ZINC09272459

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 32 No

Popular Name: 4-(4-butoxy-3-methyl-benzoyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5-(4-pyridyl)-5H-pyrrol-2-one 4-(4-butoxy-3-methyl-benzoyl)-1-…

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Annotations

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Vendors

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) 2.99 9.39 -50.51 2 7 1 84 438.548 10 ↓
Mid Mid (pH 6-8) 2.41 10.05 -60.97 1 7 1 81 438.548 10 ↓
Lo Low (pH 4.5-6) 2.99 9.67 -110.32 3 7 2 85 439.556 10 ↓
Lo Low (pH 4.5-6) 2.41 10.32 -125.12 2 7 2 82 439.556 10 ↓

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