UCSF

ZINC43504034

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.32 6.84 -7.79 0 3 0 36 226.247 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4963470; US4970136; US5008302; US5026625; US5034307; US5068371; US5106722; US5192642; US5288917; US5306600; US5510539 IBM Patent Data

Activity (Go SEA)

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