UCSF

ZINC05049125

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 25 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) 4.58 11.1 -12.41 0 2 0 34 340.507 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5393232; US5503421; US5733739; WO1992017064A2; WO1996041152A1; WO2000011904A2 IBM Patent Data

Activity (Go SEA)

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