UCSF

ZINC59173181

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2011 22 No

Other Names:

MFCD00051526

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) 5.91 10.77 -40.44 0 3 -1 57 333.558 17

Vendor Notes

Note Type Comments Provided By
Mp [°C] 163 - 165 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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