UCSF

ZINC21991866

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 11 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) 2.17 5.78 -4.63 0 1 0 13 147.221 0
Mid Mid (pH 6-8) 2.17 6.12 -26.2 1 1 1 14 148.229 0

Vendor Notes

Note Type Comments Provided By
BP 225 TCI
Purity 97% Fluorochem
Purity 98.0% min (GC) APIChem

Activity (Go SEA)

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