UCSF

ZINC05761748

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 9 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) 2.31 5.71 -3.91 0 1 0 17 126.199 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0021827A1; EP0688770A2; EP0688770A3; US3954804; US4002684; US4146581; US4170609; US4323505; US5698717 IBM Patent Data

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