UCSF

ZINC00126157

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) 2.31 4.61 -6.4 2 2 0 39 194.234 1
Mid Mid (pH 6-8) 2.31 4.67 -33.3 1 2 -1 36 193.226 1

Vendor Notes

Note Type Comments Provided By
MP 102-110° Fluorochem
MP 111 - 113 Enamine Building Blocks
MP 111...113 Enamine Building Blocks
MP 120° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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