UCSF

ZINC60021270

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) -2.21 2.48 -103.25 3 12 -1 189 576.705 11
Mid Mid (pH 6-8) -2.21 1 -120.49 2 12 -2 185 575.697 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4205166 IBM Patent Data

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

No pre-computed analogs available. Try a structural similarity search.