UCSF

ZINC55160943

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 16 Yes

Other Names:

MFCD00129884

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) 2.17 6.81 -39.53 2 3 1 34 221.324 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4048313 IBM Patent Data

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Rings

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

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