UCSF

ZINC59129238

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2011 9 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.07 6.41 -1.43 0 0 0 0 122.211 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0015002A1; EP0210815A2; US4328234; US4525475; US4816452; US4918067 IBM Patent Data
PUBCHEM_PATENT_ID US5290790 IBM Patent Data

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