UCSF

ZINC25756981

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 37 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) 2.34 10.55 -23.66 1 12 0 161 524.519 25

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0921417A2; EP0928802A2; EP0936233A2; EP0950905A2; EP0978513A1; EP0980696A1; US6130307 IBM Patent Data

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