UCSF

ZINC35570235

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 12 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) 1.10 1.41 -7.56 1 3 0 47 164.16 0
Hi High (pH 8-9.5) 1.10 2.18 -42.8 0 3 -1 49 163.152 0

Vendor Notes

Note Type Comments Provided By
M.P. 143-145C Indofine
MP 143-145o C Indofine
Purity 95% Fluorochem
APPEARANCE Light pink powder Indofine
SOLUBILITY Soluble in Ethyl Acetate Indofine

Activity (Go SEA)

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