UCSF

ZINC57561378

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 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) 2.25 8.37 -10.09 0 3 0 33 286.762 2
Lo Low (pH 4.5-6) 2.25 8.82 -34.46 1 3 1 34 287.77 2

Activity (Go SEA)

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