UCSF

ZINC08764175

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 12 Yes

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Vendors

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) 2.52 3.27 -28.74 4 3 1 56 168.264 3
Mid Mid (pH 6-8) 2.52 3.14 -6.69 3 3 0 55 167.256 3
Mid Mid (pH 6-8) 2.52 3.18 -5.19 3 3 0 55 167.256 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4416683; US4515625; US4636243; US4801718; US4943634; US5086184 IBM Patent Data

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