UCSF

ZINC13775751

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 22 Yes

CAS Number: 3964-81-6

Other Names:

AZATADINE

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) 3.65 11.74 -32.15 1 2 1 17 293.434 1
Lo Low (pH 4.5-6) 3.65 11.69 -95.2 2 2 2 19 294.442 1

Activity (Go SEA)

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