UCSF

ZINC08698070

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) 1.72 2.66 -8.92 1 2 0 33 188.024 0

Vendor Notes

Note Type Comments Provided By
MP 170 - 174 Enamine Building Blocks
Melting_Point 170-174? lit. Alfa-Aesar
MP 170-174° Oakwood Chemical
MP 170...174 Enamine Building Blocks
MP 172 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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