UCSF

ZINC40909664

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 20 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) -1.73 3.94 -44.72 1 6 -1 90 295.237 5

Activity (Go SEA)

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