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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) 2.72 8.43 -32.15 1 6 1 65 378.861 7
Hi High (pH 8-9.5) 2.72 8.03 -13.94 0 6 0 64 377.853 7

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) 2.71 8.02 -34.93 1 5 1 42 343.476 6
Hi High (pH 8-9.5) 2.71 7.63 -12.26 0 5 0 41 342.468 6
Lo Low (pH 4.5-6) 2.71 8.79 -62.26 2 5 0 43 344.484 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) 2.34 7.09 -34.91 1 4 1 39 304.37 4
Hi High (pH 8-9.5) 2.34 7.22 -12.3 0 4 0 38 303.362 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) 2.45 7.77 -32.77 1 4 1 39 300.407 4
Hi High (pH 8-9.5) 2.45 7.9 -10.33 0 4 0 38 299.399 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) 2.59 7.84 -35.79 1 4 1 39 318.397 4
Hi High (pH 8-9.5) 2.59 7.97 -11.22 0 4 0 38 317.389 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) 2.61 7.84 -35.68 1 4 1 39 318.397 4
Hi High (pH 8-9.5) 2.61 7.97 -11.32 0 4 0 38 317.389 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) 2.63 8.15 -35.46 1 4 1 39 300.407 4
Hi High (pH 8-9.5) 2.63 7.74 -11.23 0 4 0 38 299.399 4
Mid Mid (pH 6-8) 2.63 10.21 -113.03 2 4 2 40 301.415 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) 3.12 9.34 -34.28 1 4 1 39 328.461 5
Hi High (pH 8-9.5) 3.12 9.08 -10.23 0 4 0 38 327.453 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) 1.88 6.39 -40 1 6 1 57 346.432 6
Hi High (pH 8-9.5) 1.88 6.53 -15.37 0 6 0 56 345.424 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) 2.23 7.18 -34.07 1 4 1 39 286.38 4
Hi High (pH 8-9.5) 2.23 7.32 -11.28 0 4 0 38 285.372 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) 3.49 8.05 -33.28 1 4 1 39 355.27 4
Hi High (pH 8-9.5) 3.49 7.65 -12.93 0 4 0 38 354.262 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) 3.73 9.1 -35.4 1 4 1 39 369.297 4
Hi High (pH 8-9.5) 3.73 8.89 -10.98 0 4 0 38 368.289 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) 3.12 8.18 -37.7 1 4 1 39 354.377 5
Hi High (pH 8-9.5) 3.12 8.32 -12.33 0 4 0 38 353.369 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) 4.80 10.3 -37.76 2 4 1 48 356.515 6
Hi High (pH 8-9.5) 4.80 9.87 -10.7 1 4 0 46 355.507 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) 4.80 10.5 -35.59 2 4 1 48 356.515 6
Hi High (pH 8-9.5) 4.80 10.09 -10.06 1 4 0 46 355.507 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) 2.99 7.72 -36.64 2 4 1 48 300.407 4
Hi High (pH 8-9.5) 2.99 7.29 -10.99 1 4 0 46 299.399 4
Mid Mid (pH 6-8) 2.99 8.37 -44.04 2 4 1 51 300.407 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) 3.66 10.11 -32.74 1 4 1 39 342.488 6
Hi High (pH 8-9.5) 3.66 9.69 -9.77 0 4 0 38 341.48 6

Analogs

16588114
16588114

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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) 4.16 10.1 -32.41 1 4 1 39 356.515 5
Hi High (pH 8-9.5) 4.16 10.22 -10.05 0 4 0 38 355.507 5

Analogs

16587591
16587591

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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) 2.85 8.74 -34.29 1 4 1 39 314.434 4
Hi High (pH 8-9.5) 2.85 8.33 -10.33 0 4 0 38 313.426 4
Mid Mid (pH 6-8) 2.85 10.8 -112.14 2 4 2 40 315.442 4

Analogs

16588114
16588114
29930132
29930132
33268793
33268793
46526881
46526881
16585887
16585887

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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) 2.90 8.5 -32.71 1 4 1 39 314.434 4
Hi High (pH 8-9.5) 2.90 8.59 -10.45 0 4 0 38 313.426 4

Analogs

16564318
16564318
16585230
16585230
16587591
16587591

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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) 3.96 9.7 -32.44 1 4 1 39 342.488 5
Hi High (pH 8-9.5) 3.96 9.83 -10.15 0 4 0 38 341.48 5

Analogs

16632130
16632130

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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 8.29 -34.75 1 4 1 39 334.852 4
Hi High (pH 8-9.5) 3.13 8.42 -10.64 0 4 0 38 333.844 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) 2.10 6.98 -38.75 1 6 1 57 360.459 6
Hi High (pH 8-9.5) 2.10 7.1 -14.48 0 6 0 56 359.451 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) 3.14 8.67 -33.88 1 4 1 39 314.434 5
Hi High (pH 8-9.5) 3.14 8.76 -11.21 0 4 0 38 313.426 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) 3.17 7.69 -36.42 2 4 1 48 320.825 4
Hi High (pH 8-9.5) 3.17 7.27 -10.8 1 4 0 46 319.817 4
Mid Mid (pH 6-8) 3.17 8.42 -46.18 2 4 1 51 320.825 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) 3.17 7.85 -38.08 2 4 1 48 320.825 4
Hi High (pH 8-9.5) 3.17 7.43 -10.98 1 4 0 46 319.817 4
Mid Mid (pH 6-8) 3.17 8.43 -46.11 2 4 1 51 320.825 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) 2.75 7.91 -36.06 1 5 1 48 358.487 9
Hi High (pH 8-9.5) 2.75 7.5 -11.6 0 5 0 47 357.479 9

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) 2.06 6.35 -37.59 1 7 1 67 376.458 7

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 9.47 -34.03 1 4 1 39 342.488 5
Hi High (pH 8-9.5) 3.94 9.07 -11.23 0 4 0 38 341.48 5

Parameters Provided:

ring.id = 8246
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 = 8246 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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