UCSF

ZINC02556448

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 10 Yes

Popular Name: 1-methylpiperidine-3-carboxylic acid hydrochloride 1-methylpiperidine-3-carboxylic …

Find On: PubMed — Wikipedia — Google

CAS Numbers: 145678-68-8 , 19999-64-5 , 50585-89-2 , 5657-70-5 , [19999-64-5] , [5657-70-5]

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) 0.36 4.31 -52.14 1 3 0 45 143.186 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 169-172° Matrix Scientific
MP 171 - 173 Enamine Building Blocks
MP 171...173 Enamine Building Blocks
MP 180-183° Fluorochem
MP 181 - 183 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem
PUBCHEM_PATENT_ID EP0397614A2; US5071855 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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