UCSF

ZINC31704173

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 34 Yes

Popular Name: 1-(4,4-Diphenyl-3-oxobutyl)-4-carbethoxy-4-phenylpiperidine hydrobromide; 4-Piperidinecarboxylic acid, 1-(4,4-diphenyl-3-oxobutyl)-4-phenyl-, ethyl ester, HBr; Isonipecotic acid, 1-(4,4-diphenyl-3-oxobutyl)-4-phenyl-, ethyl ester, hydrobromide; LS-85091 1-(4,4-Diphenyl-3-oxobutyl)-4-ca…

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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) 5.28 17.69 -47.15 1 4 1 48 456.606 10 ↓
Mid Mid (pH 6-8) 5.28 15.44 -11.48 0 4 0 47 455.598 10 ↓

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