UCSF

ZINC16955936

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 27 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) 3.76 8.21 -25.87 1 7 0 83 405.863 7
Mid Mid (pH 6-8) 3.94 7.15 -45.74 0 7 -1 89 404.855 7

Activity (Go SEA)

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