UCSF

ZINC02034511

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) 0.72 3.5 -29.67 1 1 1 4 74.147 1

Vendor Notes

Note Type Comments Provided By
Mp [°C] 140 Acros Organics
Melting_Point 140? Alfa-Aesar
Melting_Point 140° Alfa-Aesar
BP [°C] 36 Acros Organics
Boiling_Point 36-37? Alfa-Aesar
Boiling_Point 36-37° Alfa-Aesar
BP 37 TCI
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; C: Corrosive Acros Organics
H phrase H225: Highly flammable liquid and vapor Acros Organics
H phrase H225: Highly flammable liquid and vapor; H332: Harmful if inhaled; H302: Harmful if swallowed; H314: Causes severe skin burns and eye damage Acros Organics
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; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: Gently wash with plenty of soap and water; P301 + P330 + P331: IF SWALLOWED: rinse Acros Organics
R phrase R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; R20/22: Harmful by inhalation and if swallowed.; R34: Causes burns. Acros Organics
S phrase S3: Keep in a cool place. Acros Organics
S phrase S3: Keep in a cool place.; S16: Keep away from sources of ignition - No smoking.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36: Wear suitable protective clothing.; S45: In case of accident or if y Acros Organics

Activity (Go SEA)

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