UCSF

ZINC08926888

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 35 No

Popular Name: 3-hydroxy-4-(4-isobutoxy-3-methyl-benzoyl)-1-(2-morpholinoethyl)-5-(4-pyridyl)-5H-pyrrol-2-one 3-hydroxy-4-(4-isobutoxy-3-methy…

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Annotations

None

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) 2.52 8.85 -52.09 2 8 1 93 480.585 9 ↓
Mid Mid (pH 6-8) 1.94 9.49 -62.62 1 8 1 90 480.585 9 ↓
Lo Low (pH 4.5-6) 2.52 9.13 -113.28 3 8 2 95 481.593 9 ↓
Lo Low (pH 4.5-6) 1.94 9.77 -128.01 2 8 2 91 481.593 9 ↓

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