UCSF

ZINC00967327

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) 0.35 0.61 -4.67 2 2 0 39 94.117 0
Mid Mid (pH 6-8) 0.35 0.89 -28.56 3 2 1 40 95.125 0

Vendor Notes

Note Type Comments Provided By
BP 104-106°/20mm Matrix Scientific
BP [°C] 248 Acros Organics
BP 248° Fluorochem
Boiling_Point 250-252? Alfa-Aesar
Boiling_Point 250-252° Alfa-Aesar
MP 56 - 58 Enamine Building Blocks
MP 56...58 Enamine Building Blocks
MP 57-60° Fluorochem
Melting_Point 58-63? Alfa-Aesar
Melting_Point 58-63° Alfa-Aesar
MP 59-63° Matrix Scientific
Mp [°C] 60 - 63 Acros Organics
M.P 60-63 °C Indofine
MP 62 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 99% Matrix Scientific
Warnings AIR SENSITIVE, HYGROSCOPIC, TOXIC Matrix Scientific
H phrase H300: Fatal if swallowed Acros Organics
H phrase H300: Fatal if swallowed; H311: Toxic in contact with skin; H335: May cause respiratory irritation; H319: Causes serious eye irritation; H315: Causes skin irritation 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 R24: Toxic in contact with skin. Acros Organics
R phrase R24: Toxic in contact with skin.; R28: Very toxic if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S1: Keep locked up. Acros Organics
S phrase S1: Keep locked up.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S28B: After contact with skin, wash immediately with plenty of water and soap.; S36/37/39: Wear suitable protective clothing, gloves a Acros Organics
Hazard T+: Very toxic Acros Organics
Warnings Toxic/Air Sensitive/Hygroscopic Matrix Scientific

Activity (Go SEA)

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

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