UCSF

ZINC08699135

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2007 16 Yes

Popular Name: 1-Benzylpiperidine-3-carboxylic acid 1-Benzylpiperidine-3-carboxylic …

Find On: PubMed — Wikipedia — Google

CAS Numbers: 141943-04-6 , 50585-92-7 , [141943-04-6] , [50585-92-7]

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) 1.76 7.91 -49.24 1 3 0 45 219.284 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 220 - 222 Enamine Building Blocks
MP 220...222 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000002551A2 IBM Patent Data

Activity (Go SEA)

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