UCSF

ZINC33724097

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 37 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) 6.41 15.58 -57.03 1 6 0 74 506.687 14
Lo Low (pH 4.5-6) 6.41 14.45 -47.99 2 6 1 71 507.695 14

Activity (Go SEA)

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