UCSF

ZINC17992563

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) 0.19 3.57 -43.47 0 5 -1 66 149.133 0
Ref Reference (pH 7) -0.27 5.01 -18.09 1 5 0 63 150.141 0

Vendor Notes

Note Type Comments Provided By
MP 226 TCI
MP 281 - 283 Enamine Building Blocks
Melting_Point 281-285? Alfa-Aesar
Melting_Point 281-285° Alfa-Aesar
Mp [°C] 283 - 287 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks
H phrase H302: Harmful if swallowed Acros Organics
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% )