UCSF

ZINC39712804

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 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) 1.64 4.41 -110.71 4 2 2 33 160.305 7
Mid Mid (pH 6-8) 1.64 3.2 -36.1 3 2 1 29 159.297 7
Mid Mid (pH 6-8) 1.64 3.06 -33.47 3 2 1 29 159.297 7

Vendor Notes

Note Type Comments Provided By
Purity 98% Fluorochem

Activity (Go SEA)

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