UCSF

ZINC13424746

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 31 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) 0.52 -5.69 -20.15 7 10 0 181 432.381 3

Vendor Notes

Note Type Comments Provided By
M.P. 256-257 C Indofine
MP 256-257o C Indofine
SOLUBILITY Soluble in Ethyl acetate:Formic acid (50:7) Indofine
APPEARANCE Yellow powder Indofine

Activity (Go SEA)

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