UCSF

ZINC04492224

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2005 28 No

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) 4.72 8.99 -10.96 0 5 0 47 377.488 3
Lo Low (pH 4.5-6) 4.72 11 -42.61 1 5 1 48 378.496 3
Lo Low (pH 4.5-6) 4.72 10.71 -44.2 1 5 1 48 378.496 3

Activity (Go SEA)

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