UCSF

ZINC00141706

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) 1.58 3.43 -5.49 1 2 0 29 150.206 1
Ref Reference (pH 7) 1.58 3.49 -7.44 1 2 0 29 150.206 1

Vendor Notes

Note Type Comments Provided By
MP 110 - 112 Enamine Building Blocks
MP 110...112 Enamine Building Blocks
melting_point 112 - 114 KeyOrganics
MP 112-114° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity >95% Matrix Scientific
PUBCHEM_PATENT_ID EP0820997A1; US5981437 IBM Patent Data
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5939559; US5981437; US6030926 IBM Patent Data
PUBCHEM_PATENT_ID US5939559; US6030926 IBM Patent Data

Activity (Go SEA)

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

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