UCSF

ZINC39235004

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 14 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) 2.22 6.22 -6.46 0 2 0 20 189.258 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0745079A1; WO1995022542A1 IBM Patent Data
PUBCHEM_PATENT_ID US5637600 IBM Patent Data

Activity (Go SEA)

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