UCSF

ZINC54956997

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 14 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) -0.27 0.21 -42.21 2 4 1 38 201.29 2
Hi High (pH 8-9.5) -0.27 -1.15 -3.32 1 4 0 34 200.282 2
Lo Low (pH 4.5-6) -0.27 2.54 -101.56 3 4 2 40 202.298 2

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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