UCSF

ZINC00388087

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) 1.46 1.07 -4.93 2 3 0 44 153.181 2

Vendor Notes

Note Type Comments Provided By
BP [°C] 140 (p=7 torr) Acros Organics
Boiling_Point 140?/7mm Alfa-Aesar
Boiling_Point 140°/7mm Alfa-Aesar
BP 159 / 20 TCI
MP 78 - 80 Enamine Building Blocks
MP 78-80° Oakwood Chemical
Melting_Point 78-82? Alfa-Aesar
Melting_Point 78-82° Alfa-Aesar
MP 78...80 Enamine Building Blocks
Mp [°C] 79 - 82 Acros Organics
MP 80 - 82 Enamine Building Blocks
MP 81 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
H phrase H311: Toxic in contact with skin Acros Organics
H phrase H311: Toxic in contact with skin; H301: Toxic if swallowed; H331: Toxic if inhaled Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: G Acros Organics
R phrase R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Acros Organics
Hazard T: Toxic Acros Organics

Activity (Go SEA)

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