UCSF

ZINC59868887

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 16 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) 1.67 6.68 -38.03 2 3 1 34 227.372 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0535250A1; EP0535250B1; EP0705817A1; US5344845 IBM Patent Data

Activity (Go SEA)

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