UCSF

ZINC16970870

Annotations

Vendors

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) 2.01 2.49 -7.63 2 3 0 48 180.232 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 161-164? Alfa-Aesar
Melting_Point 161-164° Alfa-Aesar
melting_point 162 - 163 KeyOrganics
Mp [°C] 162 - 169 Acros Organics
MP 165 - 167 Enamine Building Blocks
MP 165...167 Enamine Building Blocks
MP 168 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% APIChem
Purity 98% Fluorochem
H phrase H302: Harmful if swallowed Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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

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