UCSF

ZINC13424728

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 31 Yes

CAS Number: 38953-85-4

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) 0.52 -6.03 -17.91 7 10 0 181 432.381 3

Vendor Notes

Note Type Comments Provided By
M.P. 220-221 C Indofine
MP 238-240o C Indofine
Target Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial(P33316)&Tyrosine-protein kinase BTK(Q06187)&Caspase-3(P42574)&Caspase-8(Q14790)&Caspase-9(P55211) Herbal Ingredients Targets
SOLUBILITY Hygroscopic Indofine

Activity (Go SEA)

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