UCSF

ZINC00337474

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) 1.62 3.85 -6.57 0 3 0 39 171.583 2

Vendor Notes

Note Type Comments Provided By
MP 150°(dec) Matrix Scientific
melting_point 47 - 54 KeyOrganics
MP 55 - 57 Enamine Building Blocks
MP 55...57 Enamine Building Blocks
MP 58-59° Matrix Scientific
MP 59 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% 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.