UCSF

ZINC05835600

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 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) 4.04 3.57 -6.48 0 4 0 52 250.294 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0077834A1; EP0175812A1; EP0206172A1; EP0206172B1; EP0249984A2; EP0249984B1; EP0257131A2; EP0257131B1; EP0263516A2; EP0263516B1; EP0284005A2; EP0284005B1; EP0294767A1; EP0294767B1; EP0319913A2; EP0319913B1; EP0395391A2; EP0402958A1; EP0415704B1; EP041987 IBM Patent Data

Activity (Go SEA)

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