UCSF

ZINC02506576

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 8 Yes

Popular Name: Piperidin-3-ylmethanamine Piperidin-3-ylmethanamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 174073-64-4 , 23099-21-0 , 3731-52-0 , 71766-76-2 , [23099-21-0] , [71766-76-2]

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) -0.68 0.44 -107.01 5 2 2 44 116.208 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Fluorochem
PUBCHEM_PATENT_ID EP0684227A2; EP0684227B1; EP0684238A2; EP0684238A3; US5856505 IBM Patent Data

Activity (Go SEA)

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