UCSF

ZINC01726499

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 22 Yes

Popular Name: 3-Methyl-2-phenylvaleric acid 1-ethyl-4-piperidyl ester hydrochloride; 4-Piperidinol, 1-ethyl-, 3-methyl-2-phenylvalerate, hydrochloride; Benzeneacetic acid, alpha-(2-butyl)-, 1-ethyl-4-piperidyl ester, hydrochloride; C 4246; LS-161135; Pentanoic acid, 3- 3-Methyl-2-phenylvaleric acid 1-…

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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) 3.29 3.22 -36.97 1 3 1 30 304.454 7 ↓

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