UCSF

ZINC56870865

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 36 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) 0.48 5.48 -123.79 2 10 -2 173 504.532 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5263409 IBM Patent Data

Activity (Go SEA)

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