UCSF

ZINC36166136

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) -0.41 -0.7 -10.71 2 6 0 70 238.291 5
Mid Mid (pH 6-8) -0.41 1.58 -46.56 3 6 1 71 239.299 5

Activity (Go SEA)

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