UCSF

ZINC04935104

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 18 Yes

Popular Name: 4-Methyl-3-[(pyridin-4-ylmethyl)-amino]-benzoic acid 4-Methyl-3-[(pyridin-4-ylmethyl)…

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CAS Number: 878714-36-4

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) 2.19 6.68 -51.88 1 4 -1 65 241.27 4 ↓
Lo Low (pH 4.5-6) 2.19 7.14 -73.76 2 4 0 66 242.278 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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