UCSF

ZINC37079025

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 12 No

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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) 2.16 6.44 -4.83 0 2 0 20 163.22 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0382185A2; EP0382185B1; EP0470514A1; EP0470514B1; US5225402; US5300513; US5436254; US5652247 IBM Patent Data

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Rings

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