UCSF

ZINC40481010

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 16 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) -0.19 4.61 -82.1 3 5 0 88 230.308 9
Lo Low (pH 4.5-6) -0.19 2.63 -51.36 4 5 1 85 231.316 9

Activity (Go SEA)

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