UCSF

ZINC21806961

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 3.50 8.51 -5.58 1 4 0 51 276.38 5
Lo Low (pH 4.5-6) 3.50 8.96 -37.61 2 4 1 52 277.388 5

Activity (Go SEA)

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