UCSF

ZINC00389606

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) 1.16 1.14 -45.32 3 3 1 46 168.216 3

Vendor Notes

Note Type Comments Provided By
BP [°C] 108 - 110 (p=0.5 torr) Acros Organics
MP 35 - 37 Enamine Building Blocks
Melting_Point 35-37? Alfa-Aesar
MP 35-37° Oakwood Chemical
MP 35...37 Enamine Building Blocks
MP 39 TCI
purity 9.500000000000000e+001 Enamine Building Blocks
Boiling_Point 94-96? Alfa-Aesar
BP 94-96°/0.1mm Oakwood Chemical
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
BP 96 / 0.1 TCI
Purity 98% Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H314: Causes severe skin burns and eye damage Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, Acros Organics
R phrase R34: Causes burns. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
S phrase S22: Do not breathe dust.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, s Acros Organics

Activity (Go SEA)

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

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