UCSF

ZINC50979510

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2010 9 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) 1.58 1.72 -7.15 2 2 0 43 149.621 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0702013A2; EP0702013A3; US5684015; US5728650; US5994396; WO1996031124A1 IBM Patent Data

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

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