UCSF

ZINC01670097

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) 2.24 -0.5 -5.48 0 2 0 26 163.007 0

Vendor Notes

Note Type Comments Provided By
Boiling_Point 108-109?/11mm Alfa-Aesar
BP 108-109°/11mm Matrix Scientific
BP [°C] 109 (p=11 torr) Acros Organics
BP 109 / 11 TCI
MP 26 - 28 Enamine Building Blocks
Melting_Point 26-28? Alfa-Aesar
MP 26-28° Matrix Scientific
MP 26...28 Enamine Building Blocks
Boiling_Point 49?/32mm Alfa-Aesar
Boiling_Point 49°/32mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity 98% Matrix Scientific
Hazard C: Corrosive Acros Organics
Warnings Corrosive/Avoid Skin Contact/Lachrymator Matrix Scientific
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage Acros Organics
Warnings LACHRYMATOR, CORROSIVE, AVOID SKIN CONTACT Matrix Scientific
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r Acros Organics
R phrase R34: Causes burns. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase 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, seek medical advice immediat Acros Organics

Activity (Go SEA)

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

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