UCSF

ZINC03844678

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 13 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) 3.55 1.73 -5.1 0 1 0 9 172.227 1

Vendor Notes

Note Type Comments Provided By
mp 126 MolMall (formerly Molecular Diversity Preservation International)
PUBCHEM_PATENT_ID EP0501656A2; EP0501656B1; EP1016670A1; US5614521; US5643925; US5840684; US5843889; WO1992004318A1 IBM Patent Data

Activity (Go SEA)

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