UCSF

ZINC34595885

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 32 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) 4.87 13.56 -44.08 1 6 1 60 478.034 9
Hi High (pH 8-9.5) 4.87 11.25 -12.71 0 6 0 59 477.026 9

Activity (Go SEA)

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