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

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) 0.19 0.97 -38.48 3 3 1 40 185.291 1
Mid Mid (pH 6-8) 0.19 2.94 -113.48 4 3 2 41 186.299 1
Lo Low (pH 4.5-6) 0.19 2.57 -31.02 3 3 1 40 185.291 1

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) 0.19 0.12 -43.36 3 3 1 40 185.291 1
Mid Mid (pH 6-8) 0.19 2.53 -113.18 4 3 2 41 186.299 1
Lo Low (pH 4.5-6) 0.19 2.24 -32.76 3 3 1 40 185.291 1

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) 0.48 0.9 -39.61 3 3 1 40 199.318 2
Mid Mid (pH 6-8) 0.48 3.24 -26.27 3 3 1 40 199.318 2
Mid Mid (pH 6-8) 0.48 3.19 -105.77 4 3 2 41 200.326 2

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) 0.48 0.52 -39.97 3 3 1 40 199.318 2
Mid Mid (pH 6-8) 0.48 2.74 -27.54 3 3 1 40 199.318 2
Mid Mid (pH 6-8) 0.48 2.36 -113.88 4 3 2 41 200.326 2

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) 0.48 0.42 -45.37 3 3 1 40 199.318 2
Mid Mid (pH 6-8) 0.48 2.91 -111.24 4 3 2 41 200.326 2
Mid Mid (pH 6-8) 0.48 2.94 -27.88 3 3 1 40 199.318 2

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) 0.48 1.58 -43.8 3 3 1 40 199.318 2
Mid Mid (pH 6-8) 0.48 2.94 -27.01 3 3 1 40 199.318 2
Mid Mid (pH 6-8) 0.48 3.2 -117.6 4 3 2 41 200.326 2

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) 0.39 0.98 -48.52 3 3 1 40 199.318 2
Mid Mid (pH 6-8) 0.39 2.31 -30.24 3 3 1 40 199.318 2
Mid Mid (pH 6-8) 0.39 2.64 -115.47 4 3 2 41 200.326 2

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) 0.39 1.27 -44.71 3 3 1 40 199.318 2
Mid Mid (pH 6-8) 0.39 2.5 -27.66 3 3 1 40 199.318 2
Mid Mid (pH 6-8) 0.39 2.97 -119.88 4 3 2 41 200.326 2

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) 0.35 0.73 -44.82 3 3 1 40 199.318 2
Mid Mid (pH 6-8) 0.35 2.81 -101.77 4 3 2 41 200.326 2

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) 0.35 0.76 -43.69 3 3 1 40 199.318 2
Mid Mid (pH 6-8) 0.35 2.81 -100.54 4 3 2 41 200.326 2

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) 0.35 0.79 -43.35 3 3 1 40 199.318 2
Mid Mid (pH 6-8) 0.35 2.8 -100.26 4 3 2 41 200.326 2

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) 0.35 0.72 -45.85 3 3 1 40 199.318 2
Mid Mid (pH 6-8) 0.35 2.81 -102.94 4 3 2 41 200.326 2

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) 0.48 3.29 -94.99 4 3 2 41 200.326 3
Hi High (pH 8-9.5) 0.48 1.11 -44.34 3 3 1 40 199.318 3

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) 0.48 3.35 -94.59 4 3 2 41 200.326 3
Hi High (pH 8-9.5) 0.48 1.19 -44.22 3 3 1 40 199.318 3

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) 0.88 2.05 -44.5 3 3 1 40 213.345 2
Hi High (pH 8-9.5) 0.88 1.16 -1.46 2 3 0 38 212.337 2
Mid Mid (pH 6-8) 0.88 3.46 -119.45 4 3 2 41 214.353 2

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) 0.88 1.99 -46.89 3 3 1 40 213.345 2
Hi High (pH 8-9.5) 0.88 1.26 -1.97 2 3 0 38 212.337 2
Mid Mid (pH 6-8) 0.88 3.57 -119.2 4 3 2 41 214.353 2

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) 1.44 5.21 -38.46 1 2 1 14 190.694 1
Mid Mid (pH 6-8) 1.44 3.03 -2.58 0 2 0 12 189.686 1

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) 1.44 5.27 -38.66 1 2 1 14 190.694 1
Mid Mid (pH 6-8) 1.44 3.1 -2.9 0 2 0 12 189.686 1

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) 1.95 5.35 -34.22 1 2 1 14 204.721 2
Mid Mid (pH 6-8) 1.95 3.71 -2.87 0 2 0 12 203.713 2

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) 1.95 5.44 -30.39 1 2 1 14 204.721 2
Mid Mid (pH 6-8) 1.95 3.67 -2.69 0 2 0 12 203.713 2

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) 1.44 3.01 -2.76 0 2 0 12 189.686 1
Mid Mid (pH 6-8) 1.44 5.2 -36.05 1 2 1 14 190.694 1

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) 1.44 2.78 -2.3 0 2 0 12 189.686 1
Mid Mid (pH 6-8) 1.44 5.19 -35.83 1 2 1 14 190.694 1

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) 1.82 5.82 -37.26 1 2 1 14 204.721 2
Hi High (pH 8-9.5) 1.82 3.64 -3.26 0 2 0 12 203.713 2

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) 1.82 5.79 -37.34 1 2 1 14 204.721 2
Hi High (pH 8-9.5) 1.82 3.38 -2.96 0 2 0 12 203.713 2

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) 2.22 6.07 -34.27 1 2 1 14 218.748 3
Hi High (pH 8-9.5) 2.22 4.48 -2.14 0 2 0 12 217.74 3

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) 2.22 6.06 -34.2 1 2 1 14 218.748 3
Hi High (pH 8-9.5) 2.22 3.99 -2.75 0 2 0 12 217.74 3

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) 1.82 5.81 -36.82 1 2 1 14 204.721 2
Hi High (pH 8-9.5) 1.82 3.63 -2.68 0 2 0 12 203.713 2

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) 1.82 5.87 -37.09 1 2 1 14 204.721 2
Hi High (pH 8-9.5) 1.82 3.71 -3.01 0 2 0 12 203.713 2

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) 2.10 6.54 -36.55 1 2 1 14 218.748 3
Hi High (pH 8-9.5) 2.10 4.35 -3.17 0 2 0 12 217.74 3

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) 2.10 6.53 -36.6 1 2 1 14 218.748 3
Hi High (pH 8-9.5) 2.10 4.11 -2.94 0 2 0 12 217.74 3

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) 1.40 2.64 -42.55 2 3 1 29 213.345 4
Mid Mid (pH 6-8) 1.40 4.67 -102.4 3 3 2 30 214.353 4

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) 1.40 2.58 -41.67 2 3 1 29 213.345 4
Mid Mid (pH 6-8) 1.40 4.67 -101.13 3 3 2 30 214.353 4

Parameters Provided:

ring.id = 420459
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 = 420459 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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