UCSF

ZINC06576232

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) 3.12 9.24 -12.12 1 3 0 38 333.21 1
Mid Mid (pH 6-8) 3.85 8.96 -40.78 0 3 -1 35 332.202 1

Vendor Notes

Note Type Comments Provided By
melting_point 3.380000000000000e+002 - 3.400000000000000e+002 KeyOrganics
melting_point 338 - 340 KeyOrganics
MP 338-340° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity >95% 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.