UCSF

ZINC56870951

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 19 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) 0.67 4.97 -254.68 0 7 -3 122 311.187 4
Mid Mid (pH 6-8) 0.67 3.81 -129.64 1 7 -2 119 312.195 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5891697; WO1999015624A1 IBM Patent Data

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

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