UCSF

ZINC40893879

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 31 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) 6.73 13.37 -84.79 3 4 2 40 433.983 5
Hi High (pH 8-9.5) 6.73 12.99 -47.41 2 4 1 39 432.975 5

Activity (Go SEA)

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