UCSF

ZINC08698093

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) 0.27 2.15 -29.38 1 5 0 79 140.098 1
Hi High (pH 8-9.5) 0.73 1.06 -44.72 0 5 -1 82 139.09 1

Vendor Notes

Note Type Comments Provided By
MP 212°(dec) Matrix Scientific
MP 226 TCI
MP 227 - 229 Enamine Building Blocks
MP 227...229 Enamine Building Blocks
mp 230 - 233 MolMall (formerly Molecular Diversity Preservation International)
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity 98% Matrix Scientific
Melting_Point ca 220? dec. Alfa-Aesar
Melting_Point ca 220° dec. Alfa-Aesar
Warnings IRRITANT, IRRITANT-HARMFUL Matrix Scientific
Warnings Irritant/Irritant-Harmful Matrix Scientific
melting_point Solid KeyOrganics

Activity (Go SEA)

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

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