UCSF

ZINC17196146

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 34 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) 2.48 5.51 -64.77 1 8 -1 102 465.526 8
Mid Mid (pH 6-8) 2.48 7.83 -81.13 2 8 0 104 466.534 8

Activity (Go SEA)

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