UCSF

ZINC08638189

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) 0.00 2.34 -14.69 2 4 0 62 135.126 0
Hi High (pH 8-9.5) 0.46 1.15 -47.91 1 4 -1 65 134.118 0
Hi High (pH 8-9.5) 0.16 0 -48.96 0 4 -1 61 134.118 0

Vendor Notes

Note Type Comments Provided By
MP 345 - 350 Enamine Building Blocks
Melting_Point 345-350? Alfa-Aesar
MP 345-350° Matrix Scientific
MP 345...350 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% 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.