UCSF

ZINC13424740

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 33 No

CAS Number: 20229-56-5

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) -0.33 -9.17 -18.85 8 12 0 211 464.379 4

Vendor Notes

Note Type Comments Provided By
M.P. 210-213 C Indofine
MP 210-213o C Indofine
APPEARANCE Pale yellow powder Indofine
SOLUBILITY Soluble in Ethylacetate/methanol/water Indofine

Activity (Go SEA)

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