UCSF

ZINC38140520

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 34 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) 5.81 9.47 -53.29 2 4 -1 81 471.702 1
Lo Low (pH 4.5-6) 5.81 7.51 -8.45 3 4 0 78 472.71 1

Vendor Notes

Note Type Comments Provided By
M.P 285-289 C Indofine Natural Products
M.P 285-289°C Indofine Natural Products
APPEARANCE Off white powder Indofine Natural Products
SOLUBILITY Soluble in chloroform Indofine Natural Products

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.