UCSF

ZINC31982716

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 25 Yes

Popular Name: 1-(4-Fluorophenyl)-2-hydroxy-4-(4-(2-pyridyl)-1-piperazinyl)-1-butanone; 4'-Fluoro-2-hydroxy-4-(4-(2-pyridyl)-1-piperazinyl)butyrophenone; BRN 0846370; Butyrophenone, 4'-fluoro-2-hydroxy-4-(4-(2-pyridyl)-1-piperazinyl)-; LS-48376 1-(4-Fluorophenyl)-2-hydroxy-4-(…

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Vendors

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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) 1.60 7.16 -34.68 2 5 1 58 344.41 6 ↓
Mid Mid (pH 6-8) 1.60 9.08 -53.3 2 5 1 58 344.41 6 ↓
Mid Mid (pH 6-8) 1.60 6.85 -10.43 1 5 0 57 343.402 6 ↓
Mid Mid (pH 6-8) 1.60 9.07 -52.78 2 5 1 58 344.41 6 ↓
Mid Mid (pH 6-8) 1.60 6.84 -10.38 1 5 0 57 343.402 6 ↓
Lo Low (pH 4.5-6) 1.60 9.4 -108.09 3 5 2 59 345.418 6 ↓
Lo Low (pH 4.5-6) 1.60 9.39 -107 3 5 2 59 345.418 6 ↓

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