UCSF

ZINC48057074

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2010 25 No

Other Names:

MFCD08459297

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) 3.39 5.07 -13.72 1 6 0 74 344.363 7
Hi High (pH 8-9.5) 3.39 5.86 -52.73 0 6 -1 77 343.355 7

Vendor Notes

Note Type Comments Provided By
M.P. 134-136 C Indofine
MP 134-136o C Indofine
SOLUBILITY Soluble in Chloroform Indofine
APPEARANCE Yellow powder Indofine

Activity (Go SEA)

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