UCSF

ZINC39951996

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 18 Yes

Popular Name: 3-Methylamino-piperidine-1-carboxylic acid benzyl ester 3-Methylamino-piperidine-1-carbo…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1159982-25-8 , 1179359-63-7 , 1354019-28-5 , [1179359-63-7]

Download: MOL2 SDF SMILES Flexibase

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) 1.96 6.42 -43.01 2 4 1 46 249.334 4 ↓
Hi High (pH 8-9.5) 2.75 9.45 -8.3 3 5 0 71 305.385 3 ↓

Activity (Go SEA)

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