UCSF

ZINC09569485

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 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) 4.88 -6.97 -14.6 1 6 0 83 462.98 5
Hi High (pH 8-9.5) 4.88 -6.39 -50.22 0 6 -1 85 461.972 5

Activity (Go SEA)

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