UCSF

ZINC14550628

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 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) 3.76 7.77 -12.35 2 5 0 60 404.51 5

Activity (Go SEA)

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