UCSF

ZINC25761216

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 29 No

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) 1.39 1.94 -14.86 3 12 0 150 403.447 5
Mid Mid (pH 6-8) 1.39 4.27 -46.36 4 12 1 151 404.455 5

Activity (Go SEA)

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