UCSF

ZINC04245088

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 16 Yes

Popular Name: 2-Methyl-3-piperidin-1-yl-benzoic acid 2-Methyl-3-piperidin-1-yl-benzoi…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4205-06-5 , 886501-22-0 , [886501-22-0]

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) 2.87 -0.23 -49.87 0 3 -1 43 218.276 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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