UCSF

ZINC05162462

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 18 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) 2.83 -3.09 -6.75 2 3 0 41 243.306 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4007139; US4048102; US4108791; US4217422 IBM Patent Data

Activity (Go SEA)

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