UCSF

ZINC35262677

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 23 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) -4.45 -14.48 -12.19 8 11 0 190 342.297 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 234? dec. Alfa-Aesar
Melting_Point 234° dec. Alfa-Aesar
Mp [°C] 239 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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

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