UCSF

ZINC00164836

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) 2.98 2.74 -4.03 1 1 0 20 163.003 0
Mid Mid (pH 6-8) 2.98 3.51 -37.33 0 1 -1 23 161.995 0

Vendor Notes

Note Type Comments Provided By
BP [°C] 218 - 220 Acros Organics
Boiling_Point 218-220? Alfa-Aesar
Boiling_Point 218-220° Alfa-Aesar
MP 63-65° Oakwood Chemical
MP 63-65°C Fluorochem
Mp [°C] 65 - 68 Acros Organics
Melting_Point 65-68? Alfa-Aesar
Melting_Point 65-68° Alfa-Aesar
MP 65...68 Enamine Building Blocks
MP 66 TCI
BP 80 / 4 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% APIChem
Purity 98% Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H314: Causes severe skin burns and eye damage Acros Organics
P phrase P302+ P352: IF ON SKIN: Wash with plenty of soap and water Acros Organics
P phrase P302+ P352: IF ON SKIN: Wash with plenty of soap and water; 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, if present Acros Organics
R phrase R34: Causes burns. Acros Organics

Activity (Go SEA)

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

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