UCSF

ZINC35720581

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 15 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) -0.37 4.53 -69.25 2 5 0 74 214.265 4
Lo Low (pH 4.5-6) -0.37 2.55 -41.84 3 5 1 71 215.273 4

Activity (Go SEA)

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