UCSF

ZINC25493104

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 13 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) 0.55 2.91 -7.63 2 4 0 55 178.239 1
Mid Mid (pH 6-8) 0.55 3.09 -26.65 3 4 1 56 179.247 1

Activity (Go SEA)

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