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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) 2.46 4.53 -56.52 5 5 1 88 311.818 4
Hi High (pH 8-9.5) 2.46 3.36 -10.26 4 5 0 84 310.81 4
Mid Mid (pH 6-8) 2.92 2.58 -74.16 4 5 0 91 310.81 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) 2.46 4.54 -56.28 5 5 1 88 311.818 4
Hi High (pH 8-9.5) 2.46 3.36 -10.75 4 5 0 84 310.81 4
Mid Mid (pH 6-8) 2.92 2.58 -69.38 4 5 0 91 310.81 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) 2.84 5.38 -55.22 5 5 1 88 325.845 5
Hi High (pH 8-9.5) 2.84 4.29 -10.53 4 5 0 84 324.837 5
Mid Mid (pH 6-8) 3.29 3.43 -72.01 4 5 0 91 324.837 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) 2.84 5.38 -55.02 5 5 1 88 325.845 5
Hi High (pH 8-9.5) 2.84 4.27 -10.06 4 5 0 84 324.837 5
Mid Mid (pH 6-8) 3.29 3.42 -67.76 4 5 0 91 324.837 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) 0.21 2.77 -62.29 6 5 1 99 297.791 3
Mid Mid (pH 6-8) 0.66 0.81 -80.3 5 5 0 103 296.783 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) 0.21 2.76 -62.06 6 5 1 99 297.791 3
Mid Mid (pH 6-8) 0.66 0.8 -74.95 5 5 0 103 296.783 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) 2.59 4.62 -56.58 5 5 1 88 356.269 4
Hi High (pH 8-9.5) 2.59 3.45 -10.11 4 5 0 84 355.261 4
Mid Mid (pH 6-8) 3.05 2.66 -69.14 4 5 0 91 355.261 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 4.62 -56.3 5 5 1 88 356.269 4
Hi High (pH 8-9.5) 2.59 3.45 -10.71 4 5 0 84 355.261 4
Mid Mid (pH 6-8) 3.05 2.67 -73.83 4 5 0 91 355.261 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) 2.97 5.47 -55.29 5 5 1 88 370.296 5
Hi High (pH 8-9.5) 2.97 4.37 -10.43 4 5 0 84 369.288 5
Mid Mid (pH 6-8) 3.42 3.52 -67.49 4 5 0 91 369.288 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) 2.97 5.45 -55.08 5 5 1 88 370.296 5
Hi High (pH 8-9.5) 2.97 4.36 -9.99 4 5 0 84 369.288 5
Mid Mid (pH 6-8) 3.42 3.51 -71.75 4 5 0 91 369.288 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) 0.34 2.86 -62.43 6 5 1 99 342.242 3
Mid Mid (pH 6-8) 0.80 0.9 -74.75 5 5 0 103 341.234 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) 0.34 2.85 -62.12 6 5 1 99 342.242 3
Mid Mid (pH 6-8) 0.80 0.89 -79.97 5 5 0 103 341.234 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) 1.60 2.21 -10.8 5 5 0 98 248.311 2
Hi High (pH 8-9.5) 2.05 0.25 -50.24 4 5 -1 101 247.303 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) 1.11 2.21 -13.75 5 8 0 144 279.281 3
Mid Mid (pH 6-8) 1.56 0.25 -45.68 4 8 -1 147 278.273 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 4.35 -14.12 3 5 0 96 278.724 2
Hi High (pH 8-9.5) 2.55 2.4 -48.9 2 5 -1 99 277.716 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) 2.07 4.26 -16.63 3 5 0 96 278.724 2
Hi High (pH 8-9.5) 2.53 2.31 -52.62 2 5 -1 99 277.716 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) 1.36 5.28 -40.01 4 4 1 73 308.402 5
Hi High (pH 8-9.5) 1.82 4.15 -45.58 2 4 -1 75 306.386 5
Mid Mid (pH 6-8) 1.82 4.47 -35.09 3 4 0 76 307.394 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) 1.36 5.27 -40.09 4 4 1 73 308.402 5
Hi High (pH 8-9.5) 1.82 4.2 -40.94 2 4 -1 75 306.386 5
Mid Mid (pH 6-8) 1.82 4.46 -35.39 3 4 0 76 307.394 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) 3.29 5.53 -8.29 3 4 0 72 275.377 4
Hi High (pH 8-9.5) 3.74 3.63 -48.01 2 4 -1 75 274.369 4
Mid Mid (pH 6-8) 3.29 4.93 -18.47 3 4 0 72 275.377 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) 1.91 4.25 -45.34 3 6 -1 112 296.715 3
Hi High (pH 8-9.5) 2.37 2.28 -118.74 2 6 -2 115 295.707 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 4.36 -13.94 3 5 0 96 278.724 2
Hi High (pH 8-9.5) 2.55 2.38 -48.97 2 5 -1 99 277.716 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 4.4 -13.87 3 5 0 96 278.724 2
Hi High (pH 8-9.5) 2.55 2.42 -46.48 2 5 -1 99 277.716 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) 2.25 4.56 -46.78 3 6 -1 112 296.715 3
Hi High (pH 8-9.5) 2.71 2.59 -104.48 2 6 -2 115 295.707 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) 1.83 4.21 -41.7 3 6 -1 112 298.25 3
Hi High (pH 8-9.5) 2.29 2.24 -100.45 2 6 -2 115 297.242 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) 0.31 1.62 -52.65 5 7 -1 138 277.285 3
Hi High (pH 8-9.5) 0.77 -0.35 -128.48 4 7 -2 141 276.277 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) 2.93 6.59 -14.1 1 4 0 70 311.288 3
Hi High (pH 8-9.5) 3.39 4.61 -44.95 0 4 -1 73 310.28 3
Mid Mid (pH 6-8) 2.93 5.98 -24.03 1 4 0 70 311.288 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) 1.17 1.5 -10.52 5 5 0 98 234.284 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) 1.50 2.3 -13.04 5 7 0 124 292.32 4
Hi High (pH 8-9.5) 1.96 0.34 -49.36 4 7 -1 127 291.312 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) 0.46 -1.69 -16.18 5 7 0 132 312.376 3
Hi High (pH 8-9.5) 0.91 -3.65 -53.82 4 7 -1 135 311.368 3
Mid Mid (pH 6-8) 0.46 -2.29 -28.67 5 7 0 132 312.376 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) 0.02 -2.3 -15.98 5 7 0 132 298.349 3
Hi High (pH 8-9.5) 0.47 -4.27 -46.95 4 7 -1 135 297.341 3
Mid Mid (pH 6-8) 0.02 -2.87 -30.07 5 7 0 132 298.349 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) 2.49 6.09 -12.76 1 4 0 70 297.261 3
Hi High (pH 8-9.5) 2.95 4.11 -45.75 0 4 -1 73 296.253 3
Mid Mid (pH 6-8) 2.49 5.52 -22.6 1 4 0 70 297.261 3

Parameters Provided:

ring.id = 4770
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 = 4770 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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