UCSF

ZINC36222056

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 17 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) 1.91 6.37 -10.83 2 4 0 56 224.267 1
Mid Mid (pH 6-8) 1.91 6.77 -26.82 3 4 1 57 225.275 1

Activity (Go SEA)

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