UCSF

ZINC00039298

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 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) 2.94 3.8 -9.96 2 4 0 71 254.241 1
Mid Mid (pH 6-8) 2.94 4.6 -56.43 1 4 -1 73 253.233 1

Vendor Notes

Note Type Comments Provided By
M.P. 234-236 C Indofine
MP 234-236o C Indofine
SOLUBILITY Soluble in DMF Indofine
APPEARANCE Yellow crystals Indofine

Activity (Go SEA)

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