UCSF

ZINC33826943

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 4-Piperidinecarboxylic acid, 1-(phenylmethyl)-4-((phenylmehyl)amino)-, butyl ester, ethanedioate (1:2); Dioxalate de benzyl-1 (benzyl-amino-4) isonipecotate de n-butyle [French]; LS-114762 4-Piperidinecarboxylic acid, 1-(…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.68 13.4 -41.65 2 4 1 43 381.54 10 ↓
Hi High (pH 8-9.5) 4.68 11.17 -5.5 1 4 0 42 380.532 10 ↓

Activity (Go SEA)

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