UCSF

ZINC03860618

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) 1.73 4.01 -7.21 2 4 0 72 152.153 1

Vendor Notes

Note Type Comments Provided By
BP 124 / 1 TCI
BP 124º/0.1mm Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks
Mp [°C] 93 - 96 Acros Organics
Melting_Point 93-96? Alfa-Aesar
MP 93-96° Matrix Scientific
MP 93...96 Enamine Building Blocks
MP 93° Oakwood Chemical
purity 95 Enamine Building Blocks
MP 96 Fluorochem
Purity 98% Fluorochem
Purity 99% Matrix Scientific
H phrase H311: Toxic in contact with skin Acros Organics
H phrase H311: Toxic in contact with skin; H373: May cause damage to organs through prolonged or repeated exposure; H301: Toxic if swallowed; H331: Toxic if inhaled; H411: Toxic to aquatic life with long lasting effects Acros Organics
Warnings IRRITANT Matrix Scientific
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
R phrase R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R33: Danger of cumulative effects.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S28A: After contact with skin, wash immediately with plenty of water. Acros Organics
S phrase S28A: After contact with skin, wash immediately with plenty of water.; 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).; S61: Avoid rele Acros Organics
Hazard T: Toxic Acros Organics
Hazard T: Toxic; N: Dangerous for the environment Acros Organics
Warnings Toxic/Irritant Matrix Scientific

Activity (Go SEA)

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

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