UCSF

ZINC03947432

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 32 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) 0.19 -6.11 -19.91 7 11 0 190 448.38 4
Hi High (pH 8-9.5) 0.19 -5.13 -68.46 6 11 -1 193 447.372 4

Vendor Notes

Note Type Comments Provided By
MP 241-249o C Indofine
Target 72 kDa type IV collagenase(P08253)&Cellular tumor antigen p53(P04637) Herbal Ingredients Targets
SOLUBILITY Soluble in Ethyl acetate:Formic acid:; Acetic acid (100:11:11) Indofine
SOLUBILITY Soluble in Ethyl acetate:formic acid:acetic acid (100:11:11) Indofine
APPEARANCE Yellow powder Indofine
M.P. ~241-249 C Indofine

Activity (Go SEA)

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