UCSF

ZINC00057687

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 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) 3.29 4.75 -12.09 1 4 0 60 268.268 2

Vendor Notes

Note Type Comments Provided By
M.P. 245-246 C Indofine
MP 245-246o C Indofine
APPEARANCE Pale yellow crystals Indofine
SOLUBILITY Soluble in Acetone Indofine

Activity (Go SEA)

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