UCSF

ZINC22454577

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 16 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) 2.82 6.94 -34.86 1 2 1 8 284.221 3
Mid Mid (pH 6-8) 2.82 6.96 -38.87 1 2 1 8 284.221 3
Mid Mid (pH 6-8) 2.82 4.57 -2.06 0 2 0 6 283.213 3

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem

Activity (Go SEA)

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