UCSF

ZINC19090120

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) 0.54 4.41 -40.5 2 3 1 34 154.237 4
Hi High (pH 8-9.5) 0.54 3.03 -5.78 1 3 0 30 153.229 4
Mid Mid (pH 6-8) 0.54 4.88 -103.57 3 3 2 36 155.245 4

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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