UCSF

ZINC01732383

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 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) 2.35 -2.28 -8.45 0 3 0 37 207.339 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0710887A1; EP0710887B1; EP0724197A1; EP0724197B1; EP0726497A3; EP0726498A1; EP0726498B1; EP0822447B1; EP0860741A1; EP0924570A1; EP0938972A1; EP0945264A1; EP0949540A1; EP0980754A1; EP0985683A1; EP1031414A1; EP1035435A2; EP1038668A2; EP1038668A3; EP104845 IBM Patent Data

Activity (Go SEA)

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