UCSF

ZINC00185431

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 15 No

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) 2.51 0.98 -5.37 0 2 0 22 219.309 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0615854B1; EP0743573A3; EP0743573B1; EP0743574A3; EP0743574B1; EP0819119A1; US5314747; US5514505; US5563014; US6045727; US6090571; US6139782; WO1997026245A1 IBM Patent Data
PUBCHEM_PATENT_ID EP0615854B1; EP0743573B1; EP0743574B1; WO2000030632A1 IBM Patent Data

Activity (Go SEA)

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