UCSF

ZINC33826910

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 19 Yes

Popular Name: 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, ethyl ester, ethanedioate (1:2); Ethyl 4-amino-1-(phenylmethyl)-4-piperidinecarboxylate ethanedioate (1:2); LS-114630 4-Piperidinecarboxylic acid, 4-a…

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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) 1.85 6.96 -43.39 3 4 1 57 263.361 5 ↓
Lo Low (pH 4.5-6) 1.85 7.22 -125.27 4 4 2 58 264.369 5 ↓

Activity (Go SEA)

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