UCSF

ZINC01933194

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 19 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) 3.68 0.45 -11.1 1 3 0 50 252.269 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 238-243? Alfa-Aesar
Melting_Point 238-243° Alfa-Aesar
M.P. 240.5-242.5 C Indofine
MP 240.5-242.5o C Indofine
APPEARANCE Off white powder Indofine
SOLUBILITY Soluble in Chloroform:Methanol (9:1) Indofine

Activity (Go SEA)

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