UCSF

ZINC22055744

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 25 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) 1.59 -0.73 -28.83 3 9 0 123 359.354 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5472949; US6005098; US6114520; WO1996037214A2 IBM Patent Data

Activity (Go SEA)

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