UCSF

ZINC09009502

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 33 No

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

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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) 3.50 9.87 -60.24 0 6 -1 83 445.47 7 ↓
Mid Mid (pH 6-8) 3.95 10.27 -14.43 1 6 0 80 446.478 6 ↓
Lo Low (pH 4.5-6) 3.95 10.56 -42.25 2 6 1 81 447.486 6 ↓

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