UCSF

ZINC01680818

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) 1.25 2.34 -6.55 1 2 0 29 127.187 2

Vendor Notes

Note Type Comments Provided By
MP 122 - 124 Enamine Building Blocks
MP 122...124 Enamine Building Blocks
MP 128 - 129 Enamine Building Blocks
Mp [°C] 128 - 130 Acros Organics
Melting_Point 128-130? Alfa-Aesar
Melting_Point 128-130° Alfa-Aesar
MP 130 TCI
MP 130-132° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
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% )