UCSF

ZINC04333218

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 31 No

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

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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) 2.76 9.05 -58.77 0 6 -1 83 417.416 6 ↓
Mid Mid (pH 6-8) 2.18 8.61 -13.97 0 6 0 77 418.424 6 ↓
Mid Mid (pH 6-8) 2.76 8.25 -12.52 1 6 0 80 418.424 6 ↓
Lo Low (pH 4.5-6) 2.76 8.53 -42.31 2 6 1 81 419.432 6 ↓
Lo Low (pH 4.5-6) 2.18 8.89 -43.79 1 6 1 78 419.432 6 ↓

Activity (Go SEA)

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