UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

45623555
45623555
45623557
45623557

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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) 0.65 5.71 -12.78 2 4 0 59 267.332 2
Lo Low (pH 4.5-6) 0.65 6.17 -36.91 3 4 1 60 268.34 2

Analogs

45623555
45623555
45623557
45623557

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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) 0.65 5.73 -12.76 2 4 0 59 267.332 2
Lo Low (pH 4.5-6) 0.65 6.19 -36.15 3 4 1 60 268.34 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) 1.03 6 -10.33 2 4 0 59 267.332 2
Lo Low (pH 4.5-6) 1.03 6.46 -35.14 3 4 1 60 268.34 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) 1.03 5.97 -10.38 2 4 0 59 267.332 2
Lo Low (pH 4.5-6) 1.03 6.42 -34.44 3 4 1 60 268.34 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) 1.18 5.81 -11.92 2 4 0 59 285.322 2
Lo Low (pH 4.5-6) 1.18 6.27 -37.59 3 4 1 60 286.33 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) 1.18 5.83 -12.01 2 4 0 59 285.322 2
Lo Low (pH 4.5-6) 1.18 6.29 -37.27 3 4 1 60 286.33 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 6.46 -11.59 2 4 0 59 281.359 2
Lo Low (pH 4.5-6) 1.44 6.92 -35.87 3 4 1 60 282.367 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 6.52 -11.38 2 4 0 59 281.359 2
Lo Low (pH 4.5-6) 1.44 6.97 -35.18 3 4 1 60 282.367 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 6.56 -10.94 2 4 0 59 281.359 2
Lo Low (pH 4.5-6) 1.44 7.01 -36.82 3 4 1 60 282.367 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 6.54 -10.99 2 4 0 59 281.359 2
Lo Low (pH 4.5-6) 1.44 7 -35.87 3 4 1 60 282.367 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) 0.77 5.8 -16.12 2 4 0 59 285.322 2
Lo Low (pH 4.5-6) 0.77 6.26 -40.45 3 4 1 60 286.33 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) 0.77 5.79 -16.14 2 4 0 59 285.322 2
Lo Low (pH 4.5-6) 0.77 6.25 -39.35 3 4 1 60 286.33 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) 0.78 5.88 -60.48 3 4 1 61 282.367 3
Hi High (pH 8-9.5) 0.78 5.48 -12.66 2 4 0 59 281.359 3
Lo Low (pH 4.5-6) 0.78 6.34 -92.8 4 4 2 62 283.375 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) 0.78 5.89 -60.31 3 4 1 61 282.367 3
Hi High (pH 8-9.5) 0.78 5.49 -11.72 2 4 0 59 281.359 3
Lo Low (pH 4.5-6) 0.78 6.35 -91.32 4 4 2 62 283.375 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) 0.76 5.87 -51.66 3 4 1 61 282.367 3
Hi High (pH 8-9.5) 0.76 5.47 -12.24 2 4 0 59 281.359 3
Lo Low (pH 4.5-6) 0.76 6.33 -87.93 4 4 2 62 283.375 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) 0.76 5.88 -53.13 3 4 1 61 282.367 3
Hi High (pH 8-9.5) 0.76 5.48 -12.12 2 4 0 59 281.359 3
Lo Low (pH 4.5-6) 0.76 6.34 -86.33 4 4 2 62 283.375 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) 2.17 9.13 -12.57 0 3 0 33 300.789 3
Lo Low (pH 4.5-6) 2.17 9.59 -37.66 1 3 1 34 301.797 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) 2.17 9.14 -12.56 0 3 0 33 300.789 3
Lo Low (pH 4.5-6) 2.17 9.6 -36.91 1 3 1 34 301.797 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) 2.15 9.12 -13.57 0 3 0 33 300.789 3
Lo Low (pH 4.5-6) 2.15 9.57 -37.5 1 3 1 34 301.797 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) 2.15 9.13 -13.01 0 3 0 33 300.789 3
Lo Low (pH 4.5-6) 2.15 9.59 -37.09 1 3 1 34 301.797 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) 1.18 6.07 -9.48 2 4 0 59 285.322 2
Lo Low (pH 4.5-6) 1.18 6.53 -34.72 3 4 1 60 286.33 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) 1.18 6.03 -9.61 2 4 0 59 285.322 2
Lo Low (pH 4.5-6) 1.18 6.49 -34.42 3 4 1 60 286.33 2

Analogs

12537171
12537171
36799066
36799066
36799067
36799067
36799086
36799086
36799088
36799088

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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) 1.68 8.03 -13.5 0 4 0 36 295.386 3

Analogs

36799066
36799066
36799067
36799067
36799086
36799086
36799088
36799088
45623555
45623555

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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) 1.68 7.9 -13.26 0 4 0 36 295.386 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) 1.29 5.98 -24.28 0 5 0 67 344.436 3
Lo Low (pH 4.5-6) 1.29 6.43 -47.22 1 5 1 69 345.444 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) 1.29 6 -22.86 0 5 0 67 344.436 3
Lo Low (pH 4.5-6) 1.29 6.46 -47.04 1 5 1 69 345.444 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) 1.41 6.98 -10.64 1 4 0 45 281.359 3
Lo Low (pH 4.5-6) 1.41 7.43 -35.38 2 4 1 46 282.367 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) 1.41 6.94 -10.73 1 4 0 45 281.359 3
Lo Low (pH 4.5-6) 1.41 7.4 -34.65 2 4 1 46 282.367 3

Parameters Provided:

ring.id = 62329
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 = 62329 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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