UCSF

ZINC71577327

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.66 5.05 -40.23 2 2 1 26 257.151 1
Mid Mid (pH 6-8) 2.66 3.84 -2.98 1 2 0 21 256.143 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1998015541A1 IBM Patent Data

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

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