UCSF

ZINC04252606

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 18 No

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) 4.20 8.45 -9.66 1 2 0 37 238.286 3
Hi High (pH 8-9.5) 4.20 9.45 -55.76 0 2 -1 40 237.278 3

Vendor Notes

Note Type Comments Provided By
M.P. 118-120 C Indofine
MP 118.8-120.4o C Indofine
SOLUBILITY Soluble in Chloroform Indofine
APPEARANCE Yellow powder Indofine

Activity (Go SEA)

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