UCSF

ZINC35609514

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 18 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) -0.78 -0.77 -10.33 3 5 0 70 249.314 3
Lo Low (pH 4.5-6) -0.78 1.52 -41.79 4 5 1 71 250.322 3

Activity (Go SEA)

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