UCSF

ZINC40249952

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 30 Yes

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) 4.89 10.58 -14.02 0 6 0 55 404.466 7
Lo Low (pH 4.5-6) 4.89 11.05 -33.99 1 6 1 56 405.474 7

Activity (Go SEA)

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