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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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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) 3.84 16.39 -45.7 1 9 1 110 485.568 5
Hi High (pH 8-9.5) 3.84 16.02 -11.57 0 9 0 109 484.56 5

Analogs

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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) 3.84 15.01 -41.78 1 9 1 110 485.568 5
Hi High (pH 8-9.5) 3.84 15.4 -12.96 0 9 0 109 484.56 5

Analogs

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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) 3.84 15.41 -43.98 1 9 1 110 485.568 5
Hi High (pH 8-9.5) 3.84 15.37 -11.91 0 9 0 109 484.56 5

Analogs

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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) 3.84 16.23 -44.17 1 9 1 110 485.568 5
Hi High (pH 8-9.5) 3.84 16.12 -13.16 0 9 0 109 484.56 5

Analogs

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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) 3.81 14.72 -37.82 2 8 1 85 485.612 6
Hi High (pH 8-9.5) 3.81 14.08 -42.02 0 8 -1 86 483.596 6
Mid Mid (pH 6-8) 3.81 14.27 -37.82 1 8 0 87 484.604 6

Analogs

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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) 3.81 13.59 -34.24 2 8 1 85 485.612 6
Hi High (pH 8-9.5) 3.81 13.38 -43.2 0 8 -1 86 483.596 6
Mid Mid (pH 6-8) 3.81 13.05 -36.23 1 8 0 87 484.604 6

Analogs

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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) 3.81 13.7 -36.13 2 8 1 85 485.612 6
Hi High (pH 8-9.5) 3.81 13.47 -42.87 0 8 -1 86 483.596 6
Mid Mid (pH 6-8) 3.81 13.27 -35.96 1 8 0 87 484.604 6

Analogs

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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) 3.81 14.68 -36.86 2 8 1 85 485.612 6
Hi High (pH 8-9.5) 3.81 14.06 -42.3 0 8 -1 86 483.596 6
Mid Mid (pH 6-8) 3.81 14.22 -38.37 1 8 0 87 484.604 6

Analogs

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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) 0.54 11.76 -51.66 2 8 0 104 409.49 5
Hi High (pH 8-9.5) 0.54 11.48 -47.21 1 8 -1 103 408.482 5

Analogs

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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) 0.54 10.56 -49.25 2 8 0 104 409.49 5
Hi High (pH 8-9.5) 0.54 10.83 -47.81 1 8 -1 103 408.482 5

Analogs

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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) 0.54 10.77 -49.21 2 8 0 104 409.49 5
Hi High (pH 8-9.5) 0.54 10.8 -47.62 1 8 -1 103 408.482 5

Analogs

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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) 0.54 11.67 -51.62 2 8 0 104 409.49 5
Hi High (pH 8-9.5) 0.54 11.48 -47.2 1 8 -1 103 408.482 5

Analogs

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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) 3.13 12.43 -33.43 2 7 1 67 449.623 5
Hi High (pH 8-9.5) 3.13 12.1 -7.03 1 7 0 66 448.615 5
Mid Mid (pH 6-8) 3.13 14.44 -87.89 3 7 2 68 450.631 5

Analogs

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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) 3.13 11.22 -31.15 2 7 1 67 449.623 5
Hi High (pH 8-9.5) 3.13 11.53 -7.39 1 7 0 66 448.615 5
Mid Mid (pH 6-8) 3.13 13.23 -87.71 3 7 2 68 450.631 5

Analogs

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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) 3.13 11.3 -31.82 2 7 1 67 449.623 5
Hi High (pH 8-9.5) 3.13 11.49 -7.25 1 7 0 66 448.615 5
Mid Mid (pH 6-8) 3.13 13.4 -86.43 3 7 2 68 450.631 5

Analogs

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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) 3.13 12.36 -33.2 2 7 1 67 449.623 5
Hi High (pH 8-9.5) 3.13 12.2 -7.18 1 7 0 66 448.615 5
Mid Mid (pH 6-8) 3.13 14.37 -88.92 3 7 2 68 450.631 5

Analogs

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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) 3.94 15 -38.73 1 7 1 73 470.597 5
Hi High (pH 8-9.5) 3.94 14.63 -10.18 0 7 0 72 469.589 5

Analogs

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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) 3.94 13.61 -35.11 1 7 1 73 470.597 5
Hi High (pH 8-9.5) 3.94 13.99 -11.37 0 7 0 72 469.589 5

Analogs

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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) 3.94 14.01 -37 1 7 1 73 470.597 5
Hi High (pH 8-9.5) 3.94 13.98 -10.48 0 7 0 72 469.589 5

Analogs

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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) 3.94 14.83 -37.52 1 7 1 73 470.597 5
Hi High (pH 8-9.5) 3.94 14.73 -11.43 0 7 0 72 469.589 5

Analogs

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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) 3.72 15.83 -36.44 1 10 0 124 499.575 6
Mid Mid (pH 6-8) 3.72 15.48 -33.84 0 10 -1 123 498.567 6
Lo Low (pH 4.5-6) 3.72 16.27 -45.58 2 10 1 122 500.583 6

Analogs

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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) 3.72 14.39 -33.89 1 10 0 124 499.575 6
Mid Mid (pH 6-8) 3.72 14.76 -35.15 0 10 -1 123 498.567 6
Lo Low (pH 4.5-6) 3.72 14.93 -42.48 2 10 1 122 500.583 6

Analogs

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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) 3.72 14.82 -34.5 1 10 0 124 499.575 6
Mid Mid (pH 6-8) 3.72 14.84 -34.43 0 10 -1 123 498.567 6
Lo Low (pH 4.5-6) 3.72 15.27 -44.2 2 10 1 122 500.583 6

Analogs

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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) 3.72 15.62 -36.4 1 10 0 124 499.575 6
Mid Mid (pH 6-8) 3.72 15.52 -34.28 0 10 -1 123 498.567 6
Lo Low (pH 4.5-6) 3.72 16.03 -44.46 2 10 1 122 500.583 6

Parameters Provided:

ring.id = 40062
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 40062 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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