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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) 2.35 6.21 -37.17 3 2 1 31 241.358 1
Lo Low (pH 4.5-6) 2.35 7.84 -115.81 4 2 2 32 242.366 1
Lo Low (pH 4.5-6) 2.35 7.48 -31.26 3 2 1 30 241.358 1

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) 2.35 5.8 -38.42 3 2 1 31 241.358 1
Lo Low (pH 4.5-6) 2.35 7.69 -109.35 4 2 2 32 242.366 1
Lo Low (pH 4.5-6) 2.35 7.45 -35.45 3 2 1 30 241.358 1

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) 2.36 6.91 -33.68 3 3 1 40 271.384 2
Lo Low (pH 4.5-6) 2.36 8.27 -102.35 4 3 2 41 272.392 2
Lo Low (pH 4.5-6) 2.36 7.92 -26.61 3 3 1 40 271.384 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) 2.36 5.62 -37.38 3 3 1 40 271.384 2
Lo Low (pH 4.5-6) 2.36 7.32 -101.08 4 3 2 41 272.392 2
Lo Low (pH 4.5-6) 2.36 7.05 -29.55 3 3 1 40 271.384 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) 2.73 6.96 -37.31 3 2 1 31 255.385 2
Lo Low (pH 4.5-6) 2.73 8.49 -114.35 4 2 2 32 256.393 2
Lo Low (pH 4.5-6) 2.73 8.12 -29.48 3 2 1 30 255.385 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) 2.73 6.55 -38.5 3 2 1 31 255.385 2
Lo Low (pH 4.5-6) 2.73 8.33 -108.62 4 2 2 32 256.393 2
Lo Low (pH 4.5-6) 2.73 8.1 -33.39 3 2 1 30 255.385 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) 2.73 7.64 -33.93 3 3 1 40 285.411 3
Lo Low (pH 4.5-6) 2.73 8.93 -101.44 4 3 2 41 286.419 3
Lo Low (pH 4.5-6) 2.73 8.56 -25.4 3 3 1 40 285.411 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) 2.73 6.36 -37.39 3 3 1 40 285.411 3
Lo Low (pH 4.5-6) 2.73 7.96 -100.69 4 3 2 41 286.419 3
Lo Low (pH 4.5-6) 2.73 7.68 -28.07 3 3 1 40 285.411 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) 3.23 7.7 -37.69 3 2 1 31 269.412 3
Lo Low (pH 4.5-6) 3.23 9.24 -116.2 4 2 2 32 270.42 3
Lo Low (pH 4.5-6) 3.23 8.86 -29.83 3 2 1 30 269.412 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) 3.23 7.3 -38.52 3 2 1 31 269.412 3
Lo Low (pH 4.5-6) 3.23 9.07 -110.18 4 2 2 32 270.42 3
Lo Low (pH 4.5-6) 3.23 8.83 -33.94 3 2 1 30 269.412 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) 3.02 7.34 -37.74 3 2 1 31 269.412 2
Lo Low (pH 4.5-6) 3.02 8.8 -113.48 4 2 2 32 270.42 2
Lo Low (pH 4.5-6) 3.02 8.45 -28.08 3 2 1 30 269.412 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) 3.02 6.85 -38.66 3 2 1 31 269.412 2
Lo Low (pH 4.5-6) 3.02 8.58 -107.69 4 2 2 32 270.42 2
Lo Low (pH 4.5-6) 3.02 8.32 -32.12 3 2 1 30 269.412 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) 3.54 8.36 -27.14 3 2 1 30 283.439 2
Lo Low (pH 4.5-6) 3.54 8.71 -113.5 4 2 2 32 284.447 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) 3.54 7.8 -30.96 3 2 1 30 283.439 2
Lo Low (pH 4.5-6) 3.54 8.1 -108.15 4 2 2 32 284.447 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) 3.47 8.56 -38.15 3 2 1 31 283.439 3
Lo Low (pH 4.5-6) 3.47 9.52 -29.14 3 2 1 30 283.439 3
Lo Low (pH 4.5-6) 3.47 9.89 -115.36 4 2 2 32 284.447 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) 3.47 8.16 -38.79 3 2 1 31 283.439 3
Lo Low (pH 4.5-6) 3.47 9.52 -33.05 3 2 1 30 283.439 3
Lo Low (pH 4.5-6) 3.47 9.73 -110.09 4 2 2 32 284.447 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) 2.33 6.09 -36.09 3 3 1 40 285.411 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) 2.33 5.68 -39.67 3 3 1 40 285.411 4

Parameters Provided:

ring.id = 532119
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 = 532119 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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