UCSF

ZINC09373930

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 37 No

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

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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) 3.90 12.75 -55.47 2 7 1 84 500.619 11 ↓
Mid Mid (pH 6-8) 3.32 0.93 -65.28 1 7 1 81 500.619 11 ↓
Lo Low (pH 4.5-6) 4.35 12.7 -122.89 3 7 2 85 501.627 10 ↓
Lo Low (pH 4.5-6) 3.32 1.05 -125.25 2 7 2 82 501.627 11 ↓

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