UCSF

ZINC04349341

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 33 No

CAS Numbers: 482-35-9 , 482-36-0

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) -0.36 -14.93 -21.97 8 12 0 210 464.379 4

Vendor Notes

Note Type Comments Provided By
M.P. 220-222 C Indofine
MP 220-222o C Indofine
Target Beta-defensin 2(O15263)&C-C chemokine receptor type 7(P32248)&Prostaglandin G/H synthase 2(P35354)&Vascular endothelial growth factor A(P15692)&C-X-C chemokine receptor type 4(P61073) Herbal Ingredients Targets
SOLUBILITY Soluble in Ethyl acetate:Formic acid:Acetic acid:Water (100:11:11:27) Indofine
APPEARANCE Yellow powder Indofine

Activity (Go SEA)

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