UCSF

ZINC13409261

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 20 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) 0.76 6.63 -14.39 0 6 0 79 275.26 4
Mid Mid (pH 6-8) 0.76 5 -14.07 0 6 0 79 275.26 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4005127; US4014920; US4038414 IBM Patent Data

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

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