UCSF

ZINC09020088

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 38 No

Popular Name: 3-hydroxy-4-(4-isobutoxy-3-methyl-benzoyl)-1-(3-pyridylmethyl)-5-(4-tert-butylphenyl)-5H-pyrrol-2-on 3-hydroxy-4-(4-isobutoxy-3-methy…

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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) 5.80 14.18 -40.74 0 6 -1 83 511.642 9 ↓
Mid Mid (pH 6-8) 5.22 14.51 -22.7 0 6 0 77 512.65 9 ↓
Mid Mid (pH 6-8) 6.25 13.53 -29.38 1 6 0 80 512.65 8 ↓
Lo Low (pH 4.5-6) 5.22 14.79 -58.72 1 6 1 78 513.658 9 ↓
Lo Low (pH 4.5-6) 6.25 13.81 -54.68 2 6 1 81 513.658 8 ↓

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