UCSF

ZINC02559460

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 30 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) 8.62 13.52 -1.51 1 1 0 20 414.718 6

Vendor Notes

Note Type Comments Provided By
MP 136-140 °C(lit.) Indofine
MP 139-140o C Indofine
SOLUBILITY chloroform: 20 mg/mL, clear, colorless Indofine
SOLUBILITY Soluble in Hexane/ethylacetate Indofine

Activity (Go SEA)

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

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