UCSF

ZINC80068223

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2012 18 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) 0.66 5.46 -5.87 2 4 0 69 249.31 6
Mid Mid (pH 6-8) 0.66 5.8 -45.53 3 4 1 71 250.318 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0657415A1; US5616726; USRE36718 IBM Patent Data

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

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