UCSF

ZINC55678562

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2010 23 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) 3.66 4.84 -10.63 1 5 0 65 339.388 7
Hi High (pH 8-9.5) 3.66 4.96 -41.08 0 5 -1 67 338.38 7

Activity (Go SEA)

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