UCSF

ZINC77871000

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2012 38 No

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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) 10.20 25.27 -2.94 0 2 0 18 530.922 30

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4055428; US5075208 IBM Patent Data

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