UCSF

ZINC33826917

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 21 Yes

Popular Name: 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, 2-methylpropyl ester, ethanedioate (1:2); Isobutyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate; LS-114635 4-Piperidinecarboxylic acid, 4-a…

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) 2.60 8.37 -43.16 3 4 1 57 291.415 6 ↓
Hi High (pH 8-9.5) 2.60 6.12 -6.02 2 4 0 56 290.407 6 ↓

Activity (Go SEA)

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