UCSF

ZINC43977885

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 4.48 8.89 -98.95 3 3 2 30 300.531 13
Hi High (pH 8-9.5) 4.48 7.79 -26.48 2 3 1 26 299.523 13

Activity (Go SEA)

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