UCSF

ZINC01668279

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 17 No

Other Names:

MFCD02067728

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) -5.44 3.29 -73.49 0 2 2 7 228.339 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5041625; US5070203 IBM Patent Data

Activity (Go SEA)

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