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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) 1.26 3.91 -27.26 3 3 1 34 240.415 6
Hi High (pH 8-9.5) 1.26 3.97 -35.45 3 3 1 34 240.415 6
Mid Mid (pH 6-8) 1.26 6.14 -90.04 4 3 2 35 241.423 6

Analogs

19486870
19486870

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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 3.56 -25.39 3 3 1 34 226.388 5
Hi High (pH 8-9.5) 0.76 3.24 -34.78 3 3 1 34 226.388 5
Mid Mid (pH 6-8) 0.76 5.81 -89.44 4 3 2 35 227.396 5

Analogs

19486870
19486870

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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) 1.05 3.53 -26.88 3 3 1 34 240.415 5
Hi High (pH 8-9.5) 1.05 3.84 -33.35 3 3 1 34 240.415 5
Mid Mid (pH 6-8) 1.05 6.33 -88.9 4 3 2 35 241.423 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) 0.38 2.36 -27.06 3 3 1 34 212.361 4
Hi High (pH 8-9.5) 0.38 2.65 -36.05 3 3 1 34 212.361 4
Mid Mid (pH 6-8) 0.38 4.76 -88.68 4 3 2 35 213.369 4

Analogs

19486870
19486870

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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 3.36 -28.57 3 3 1 34 226.388 5
Hi High (pH 8-9.5) 0.88 3.31 -35.36 3 3 1 34 226.388 5

Analogs

19486870
19486870

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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) 0.38 3.29 -103.36 4 3 2 35 213.369 4
Hi High (pH 8-9.5) 0.38 2.56 -34.73 3 3 1 34 212.361 4

Analogs

19486870
19486870

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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) 0.68 3.82 -103.31 4 3 2 35 227.396 4
Hi High (pH 8-9.5) 0.68 3.09 -33.12 3 3 1 34 226.388 4

Analogs

19486870
19486870

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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) 0.00 2.63 -103.08 4 3 2 35 199.342 3
Hi High (pH 8-9.5) 0.00 1.9 -35.94 3 3 1 34 198.334 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) 1.76 4.65 -27.39 3 3 1 34 254.442 7
Hi High (pH 8-9.5) 1.76 4.71 -35.38 3 3 1 34 254.442 7
Mid Mid (pH 6-8) 1.76 6.89 -91.08 4 3 2 35 255.45 7

Analogs

19486870
19486870

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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 3.92 -27.14 3 3 1 34 240.415 6
Hi High (pH 8-9.5) 1.26 3.99 -34.87 3 3 1 34 240.415 6
Mid Mid (pH 6-8) 1.26 6.56 -90.55 4 3 2 35 241.423 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) 1.55 4.29 -26.99 3 3 1 34 254.442 6
Hi High (pH 8-9.5) 1.55 4.52 -33.28 3 3 1 34 254.442 6
Mid Mid (pH 6-8) 1.55 4.65 -117.56 4 3 2 35 255.45 6

Analogs

19486870
19486870

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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 3.5 -25.76 3 3 1 34 226.388 5
Hi High (pH 8-9.5) 0.88 3.34 -36.08 3 3 1 34 226.388 5
Mid Mid (pH 6-8) 0.88 5.49 -89.7 4 3 2 35 227.396 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) -0.90 6.24 -50.88 2 4 0 57 226.32 5
Mid Mid (pH 6-8) -0.90 4.81 -32.03 2 4 0 60 226.32 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) -1.11 6.03 -48.72 2 4 0 57 226.32 4
Mid Mid (pH 6-8) -1.11 4.62 -31.96 2 4 0 60 226.32 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 5.5 -51.06 2 4 0 57 212.293 4
Mid Mid (pH 6-8) -1.40 4.06 -32.16 2 4 0 60 212.293 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) -1.78 4.84 -53.3 2 4 0 57 198.266 3
Mid Mid (pH 6-8) -1.78 3.24 -32.33 2 4 0 60 198.266 3

Analogs

44686209
44686209
44686211
44686211

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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 3.29 -38.53 2 4 1 40 226.344 4
Mid Mid (pH 6-8) -0.21 5.52 -101.03 3 4 2 41 227.352 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) 1.04 4.11 -35.47 2 2 1 20 179.287 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) 2.56 5.58 -33.87 2 2 1 20 209.357 4
Lo Low (pH 4.5-6) 2.56 7.87 -98.28 3 2 2 21 210.365 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) 0.16 1.61 -44.96 4 4 1 63 184.263 2

Analogs

42781948
42781948
42781955
42781955
42781956
42781956
42781965
42781965
43982778
43982778

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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) 1.81 4.14 -36.89 2 2 1 20 223.262 4

Analogs

42742982
42742982

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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 4.83 -37.31 2 6 1 63 284.38 6

Parameters Provided:

ring.id = 137908
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 = 137908 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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