UCSF

ZINC06036208

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2006 28 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) 4.25 7.79 -49.19 2 4 -1 81 391.572 4

Vendor Notes

Note Type Comments Provided By
SOLUBILITY 0.24 g/L Indofine
M.P 171-174 °C Indofine

Activity (Go SEA)

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

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