UCSF

ZINC00528718

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 17 Yes

Popular Name: 3-[(Pyridin-4-ylmethyl)-amino]-benzoic acid 3-[(Pyridin-4-ylmethyl)-amino]-b…

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CAS Number: 714213-01-1

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) 1.79 5.89 -52.39 1 4 -1 65 227.243 4 ↓
Lo Low (pH 4.5-6) 1.79 6.35 -74.22 2 4 0 66 228.251 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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