UCSF

ZINC01593477

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) 5.04 9.41 -5.03 0 0 0 0 257.13 0

Vendor Notes

Note Type Comments Provided By
BP [°C] 180 - 190 (p=2 torr) Acros Organics
Boiling Point 180-190 SynQuest Building Blocks
Boiling_Point 190?/1.2mm Alfa-Aesar
Boiling_Point 190°/1.2mm Alfa-Aesar
BP 225 / 15 TCI
Mp [°C] 60 - 65 Acros Organics
Melting Point 60-64 SynQuest Building Blocks
Melting_Point 62-66? Alfa-Aesar
Melting_Point 62-66° Alfa-Aesar
MP 63 TCI
Purity 99% APIChem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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

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