UCSF

ZINC33826152

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 25 Yes

Popular Name: 1-(3-(4-Fluorobenzoyl)propyl)-4-(3-carboxypropionyl)piperazine; 1-Piperazinebutanoic acid, 4-(4-(4-fluorophenyl)-4-oxobutyl)-gamma-oxo-; 4-(4-(4-Fluorophenyl)-4-oxobutyl)-gamma-oxo-1-piperazinebutanoic acid; BRN 0842897; LS-110554 1-(3-(4-Fluorobenzoyl)propyl)-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) 1.20 7.9 -51.3 0 6 -1 81 349.382 8 ↓
Mid Mid (pH 6-8) 1.20 10.11 -78.13 1 6 0 82 350.39 8 ↓
Lo Low (pH 4.5-6) 1.20 8.13 -55.74 2 6 1 79 351.398 8 ↓

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