UCSF

ZINC12416739

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) 2.25 3.63 -6.52 1 3 0 38 165.192 3

Vendor Notes

Note Type Comments Provided By
BP 152°/14mm Matrix Scientific
BP 237 TCI
Boiling_Point 237? Alfa-Aesar
Boiling_Point 237° Alfa-Aesar
Melting_Point 49-51? Alfa-Aesar
Melting_Point 49-51° Alfa-Aesar
MP 52 TCI
MP 53° Matrix Scientific
PUBCHEM_PATENT_ID EP0863877A1; EP0887341A1; EP0921122A1; US6110967; WO1997016428A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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