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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) 0.04 4.57 -94.65 4 4 2 48 262.401 3
Hi High (pH 8-9.5) 0.04 3.01 -48.49 3 4 1 47 261.393 3
Hi High (pH 8-9.5) 0.04 3.11 -3.24 2 4 0 45 260.385 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) 0.04 4.35 -104.26 4 4 2 48 262.401 3
Hi High (pH 8-9.5) 0.04 2.78 -50.02 3 4 1 47 261.393 3
Hi High (pH 8-9.5) 0.04 2.51 -4.38 2 4 0 45 260.385 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) 0.45 4.7 -92.16 4 4 2 48 276.428 3
Hi High (pH 8-9.5) 0.45 3.14 -44.88 3 4 1 47 275.42 3
Hi High (pH 8-9.5) 0.45 2.83 -3.47 2 4 0 45 274.412 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) 0.45 4.62 -102.47 4 4 2 48 276.428 3
Hi High (pH 8-9.5) 0.45 3.5 -3.35 2 4 0 45 274.412 3
Hi High (pH 8-9.5) 0.45 3.71 -39.54 3 4 1 47 275.42 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) 0.45 5.38 -92.24 4 4 2 48 276.428 3
Hi High (pH 8-9.5) 0.45 3.92 -46.14 3 4 1 47 275.42 3
Hi High (pH 8-9.5) 0.45 3.65 -4.09 2 4 0 45 274.412 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) 0.45 5.56 -94.81 4 4 2 48 276.428 3
Hi High (pH 8-9.5) 0.45 4 -40.03 3 4 1 47 275.42 3
Hi High (pH 8-9.5) 0.45 3.31 -3.37 2 4 0 45 274.412 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) 0.98 5.57 -92.17 4 4 2 48 290.455 4
Hi High (pH 8-9.5) 0.98 4 -44.3 3 4 1 47 289.447 4
Lo Low (pH 4.5-6) 0.98 6.04 -175.33 5 4 3 49 291.463 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) 0.98 6.24 -96.19 4 4 2 48 290.455 4
Hi High (pH 8-9.5) 0.98 4.67 -46.36 3 4 1 47 289.447 4
Lo Low (pH 4.5-6) 0.98 5.88 -175.49 5 4 3 49 291.463 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) 0.98 6.26 -92.15 4 4 2 48 290.455 4
Hi High (pH 8-9.5) 0.98 4.69 -45.51 3 4 1 47 289.447 4
Lo Low (pH 4.5-6) 0.98 6.76 -175.57 5 4 3 49 291.463 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) 0.98 6.42 -94.84 4 4 2 48 290.455 4
Hi High (pH 8-9.5) 0.98 4.85 -39.27 3 4 1 47 289.447 4
Lo Low (pH 4.5-6) 0.98 6.93 -176.42 5 4 3 49 291.463 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) 0.64 5.26 -99.36 4 4 2 48 262.401 3
Hi High (pH 8-9.5) 0.64 4.56 -33.58 3 4 1 47 261.393 3
Hi High (pH 8-9.5) 0.64 3.18 -4.65 2 4 0 45 260.385 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) 1.22 6.59 -35.16 1 4 1 44 257.361 2
Hi High (pH 8-9.5) 1.22 5.01 -9.8 0 4 0 43 256.353 2
Lo Low (pH 4.5-6) 1.22 8.45 -107.76 2 4 2 46 258.369 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) 1.26 6.16 -29.44 3 4 1 47 291.444 3
Hi High (pH 8-9.5) 1.26 4.61 -6.75 2 4 0 45 290.436 3
Lo Low (pH 4.5-6) 1.26 6.93 -91.89 4 4 2 48 292.452 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) -0.15 4.04 -83.83 5 5 2 72 275.4 3
Hi High (pH 8-9.5) -0.15 2.48 -30.03 4 5 1 71 274.392 3
Lo Low (pH 4.5-6) -0.15 5.59 -193.76 6 5 3 73 276.408 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 5.4 -36.97 3 4 1 47 247.366 2
Mid Mid (pH 6-8) 0.88 5.02 -32.92 3 4 1 47 247.366 2
Mid Mid (pH 6-8) 0.88 5.5 -74.89 4 4 2 48 248.374 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) 1.26 6.31 -37.05 2 4 1 33 261.393 3
Mid Mid (pH 6-8) 1.26 6.41 -73.96 3 4 2 34 262.401 3
Mid Mid (pH 6-8) 1.26 5.93 -33.07 2 4 1 33 261.393 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) 1.63 7.12 -36.76 2 4 1 33 275.42 4
Mid Mid (pH 6-8) 1.63 6.73 -32.75 2 4 1 33 275.42 4
Mid Mid (pH 6-8) 1.63 7.21 -73.97 3 4 2 34 276.428 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) 2.13 7.88 -36.71 2 4 1 33 289.447 5
Mid Mid (pH 6-8) 2.13 7.97 -74.48 3 4 2 34 290.455 5
Mid Mid (pH 6-8) 2.13 7.5 -32.59 2 4 1 33 289.447 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) 0.83 5.69 -36.67 3 4 1 47 247.366 2
Hi High (pH 8-9.5) 0.83 3.85 -4.42 2 4 0 45 246.358 2
Mid Mid (pH 6-8) 0.83 5.42 -33.87 3 4 1 47 247.366 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) 1.20 7 -36.79 2 4 1 33 261.393 3
Mid Mid (pH 6-8) 1.20 6.82 -74.19 3 4 2 34 262.401 3
Mid Mid (pH 6-8) 1.20 6.44 -34.27 2 4 1 33 261.393 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) 1.58 7.82 -36.32 2 4 1 33 275.42 4
Mid Mid (pH 6-8) 1.58 7.27 -34.24 2 4 1 33 275.42 4
Mid Mid (pH 6-8) 1.58 7.65 -74.04 3 4 2 34 276.428 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) 2.08 8.58 -36.63 2 4 1 33 289.447 5
Mid Mid (pH 6-8) 2.08 8.04 -34.38 2 4 1 33 289.447 5
Mid Mid (pH 6-8) 2.08 8.41 -74.62 3 4 2 34 290.455 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) 0.59 5.54 -38.25 4 5 1 59 262.381 3
Mid Mid (pH 6-8) 0.59 5.72 -75.26 5 5 2 60 263.389 3
Mid Mid (pH 6-8) 0.59 5.3 -35.34 4 5 1 59 262.381 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) 0.64 5.31 -38.18 4 5 1 59 262.381 3
Mid Mid (pH 6-8) 0.64 4.93 -34.15 4 5 1 59 262.381 3
Mid Mid (pH 6-8) 0.64 5.4 -73.65 5 5 2 60 263.389 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) 1.03 7.38 -44.68 1 5 0 61 275.352 3
Hi High (pH 8-9.5) 1.03 5.95 -56.35 0 5 -1 59 274.344 3
Mid Mid (pH 6-8) 1.03 7.52 -56.9 1 5 0 61 275.352 3

Parameters Provided:

ring.id = 312717
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 = 312717 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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