UCSF

ZINC12954360

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 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) -0.58 6.4 -54.19 1 4 -1 69 218.232 2
Lo Low (pH 4.5-6) -0.58 4.42 -11.34 2 4 0 66 219.24 2
Lo Low (pH 4.5-6) -0.58 4.42 -11.31 2 4 0 66 219.24 2

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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