UCSF

ZINC01600621

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) -0.26 -0.65 -6.42 1 3 0 39 134.175 6

Vendor Notes

Note Type Comments Provided By
Mp [°C] 80 Acros Organics
Melting_Point 80? Alfa-Aesar
Melting_Point 80° Alfa-Aesar
BP 196 TCI
BP [°C] 197 Acros Organics
Boiling_Point 201-202? Alfa-Aesar
Boiling_Point 201-202° Alfa-Aesar
H phrase H319: Causes serious eye irritation Acros Organics
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R20: Harmful by inhalation. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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