UCSF

ZINC12502589

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 19 No

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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) -1.84 -4.83 -344.46 2 11 -4 195 320.083 6
Mid Mid (pH 6-8) -1.84 -5.98 -218.83 3 11 -3 192 321.091 6
Lo Low (pH 4.5-6) -1.84 -7.14 -110.39 4 11 -2 189 322.099 6

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