UCSF

ZINC71404696

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2011 32 No

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) -0.16 -7.68 -16.56 7 11 0 186 450.396 4
Hi High (pH 8-9.5) -0.16 -6.69 -62.02 6 11 -1 189 449.388 4

Vendor Notes

Note Type Comments Provided By
M.P. 171-176 C Indofine
MP 171-176o C Indofine
SOLUBILITY Soluble in 5 mg/20 ml in methanol Indofine
SOLUBILITY Soluble in 5mg/20ml of Methanol Indofine

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.