UCSF

ZINC01561515

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) 2.01 4.85 -5.05 0 2 0 26 126.155 4

Vendor Notes

Note Type Comments Provided By
Mp [°C] 65 Acros Organics
BP [°C] 144 Acros Organics
BP 64 / 50 TCI
H phrase H330: Fatal if inhaled; H311: Toxic in contact with skin; H302: Harmful if swallowed; H373: May cause damage to organs through prolonged or repeated exposure in contact with skin; H226: Flammable liquid and vapor; H400: Very toxic to aquatic life Acros Organics
H phrase H331: Toxic if inhaled Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P352: IF ON SKIN: Wash with Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R21/22: Harmful in contact with skin and if swallowed.; R23: Toxic by inhalation.; R50: Very toxic to aquatic organisms. 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).; S61: Avoid release to the environment. Refer to special instructions / safety data she Acros Organics
Hazard T: Toxic Acros Organics
Hazard T: Toxic; N: Dangerous for the environment Acros Organics

Activity (Go SEA)

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