UCSF

ZINC01679987

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) 7.84 13.74 -1.47 0 0 0 0 246.438 11

Vendor Notes

Note Type Comments Provided By
Mp [°C] 10 Acros Organics
Melting_Point 3? Alfa-Aesar
Melting_Point Alfa-Aesar
Mp [°C] 7 Acros Organics
Melting_Point 7? Alfa-Aesar
Melting_Point Alfa-Aesar
Boiling_Point 179-180?/13mm Alfa-Aesar
Boiling_Point 179-180°/13mm Alfa-Aesar
BP [°C] 288 - 300 Acros Organics
BP [°C] 315 Acros Organics
Boiling_Point 331? Alfa-Aesar
Boiling_Point 331° Alfa-Aesar
Hazard C: Corrosive Acros Organics
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H302: Harmful if swallowed; H412: Harmful to aquatic life with long lasting effects Acros Organics
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 protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R34: Causes burns. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics

Activity (Go SEA)

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