UCSF

ZINC08580088

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) 2.06 3.45 -10.14 2 4 0 65 240.206 4
Lo Low (pH 4.5-6) 2.06 3.68 -35.75 3 4 1 66 241.214 4

Vendor Notes

Note Type Comments Provided By
MP 170-172° Matrix Scientific
melting_point 172 - 174 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
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.