UCSF

ZINC22585655

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 15 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) -0.17 0.61 -36.85 2 5 1 46 216.305 5
Hi High (pH 8-9.5) -0.17 -1.79 -9.52 1 5 0 45 215.297 5

Activity (Go SEA)

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