UCSF

ZINC08740789

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 32 No

Popular Name: 3-hydroxy-4-(4-isopropoxybenzoyl)-5-(4-methylphenyl)-1-(2-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-4-(4-isopropoxybenzoyl…

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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) 4.42 11.58 -66.65 0 6 -1 83 427.48 6 ↓
Mid Mid (pH 6-8) 4.87 11.11 -17.51 1 6 0 80 428.488 5 ↓
Mid Mid (pH 6-8) 3.84 11.95 -10.55 0 6 0 77 428.488 6 ↓
Lo Low (pH 4.5-6) 4.87 11.33 -40.91 2 6 1 81 429.496 5 ↓
Lo Low (pH 4.5-6) 3.84 12.17 -39 1 6 1 78 429.496 6 ↓

Activity (Go SEA)

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