UCSF

ZINC43504615

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 12 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.90 6.31 -3.98 0 3 0 43 172.224 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1986002070A1 IBM Patent Data

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