UCSF

ZINC59484351

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2011 20 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 15.3 -1.36 0 0 0 0 274.492 13

Vendor Notes

Note Type Comments Provided By
Mp [°C] 15 Acros Organics
Boiling_Point 196?/6mm Alfa-Aesar
Boiling_Point 196°/6mm Alfa-Aesar
BP [°C] 359 Acros Organics
Melting_Point 9? Alfa-Aesar
Melting_Point Alfa-Aesar
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.