UCSF

ZINC00528677

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 17 Yes

Popular Name: 4-[(4-pyridinylmethyl)amino]benzoic acid 4-[(4-pyridinylmethyl)amino]benz…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5966-20-1 , [5966-20-1]

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) 1.82 5.89 -52.34 1 4 -1 65 227.243 4 ↓
Lo Low (pH 4.5-6) 1.82 6.35 -78.61 2 4 0 66 228.251 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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