UCSF

ZINC26513878

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 14 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) 2.08 1.72 -39.71 0 3 -1 39 209.225 2
Mid Mid (pH 6-8) 1.36 2.51 -14.98 1 3 0 42 210.233 2

Activity (Go SEA)

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