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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (3R)-3-[(3R,6R)-3,6-dimethyl-1,5-diazocan-1-yl]thiane (3R)-3-[(3R,6R)-3,6-dimethyl-1,5…

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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) 1.13 2.3 -43.65 2 4 1 54 275.438 1 ↓
Lo Low (pH 4.5-6) 1.13 3.99 -127.61 3 4 2 55 276.446 1 ↓

Analogs

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Popular Name: (3R)-3-[(3R,6S)-3,6-dimethyl-1,5-diazocan-1-yl]thiane (3R)-3-[(3R,6S)-3,6-dimethyl-1,5…

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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) 1.13 3.12 -44.59 2 4 1 54 275.438 1 ↓
Lo Low (pH 4.5-6) 1.13 3.84 -124.5 3 4 2 55 276.446 1 ↓

Analogs

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Popular Name: (3R)-3-[(3R)-3-methyl-1,5-diazocan-1-yl]thiane (3R)-3-[(3R)-3-methyl-1,5-diazoc…

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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 1.71 -45.53 2 4 1 54 261.411 1 ↓
Lo Low (pH 4.5-6) 0.45 3.39 -128.53 3 4 2 55 262.419 1 ↓

Analogs

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Popular Name: (3R)-3-[(3S)-3-methyl-1,5-diazocan-1-yl]thiane (3R)-3-[(3S)-3-methyl-1,5-diazoc…

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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 2.53 -49.01 2 4 1 54 261.411 1 ↓
Lo Low (pH 4.5-6) 0.45 3.17 -126.32 3 4 2 55 262.419 1 ↓

Analogs

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Popular Name: (3R)-3-[(3S,7R)-3,7-dimethyl-1,5-diazocan-1-yl]thiane (3R)-3-[(3S,7R)-3,7-dimethyl-1,5…

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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) 0.92 1.67 -51.39 2 4 1 54 275.438 1 ↓
Lo Low (pH 4.5-6) 0.92 3.73 -125.97 3 4 2 55 276.446 1 ↓

Analogs

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Popular Name: (3R)-3-[(3S,7S)-3,7-dimethyl-1,5-diazocan-1-yl]thiane (3R)-3-[(3S,7S)-3,7-dimethyl-1,5…

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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) 0.92 2.45 -48.89 2 4 1 54 275.438 1 ↓
Lo Low (pH 4.5-6) 0.92 3.93 -129.3 3 4 2 55 276.446 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(3R,7R)-3,7-dimethyl-1,5-diazocan-1-yl]thiane (3R)-3-[(3R,7R)-3,7-dimethyl-1,5…

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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) 0.92 2.43 -48.52 2 4 1 54 275.438 1 ↓
Lo Low (pH 4.5-6) 0.92 3.93 -128.81 3 4 2 55 276.446 1 ↓

Analogs

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Popular Name: (3R)-3-[(4R,6S)-4-ethyl-6-methyl-1,5-diazocan-1-yl]thiane (3R)-3-[(4R,6S)-4-ethyl-6-methyl…

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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) 1.52 4.04 -42.72 2 4 1 54 289.465 2 ↓
Lo Low (pH 4.5-6) 1.52 4.74 -123.48 3 4 2 55 290.473 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(4S,6S)-4-ethyl-6-methyl-1,5-diazocan-1-yl]thiane (3R)-3-[(4S,6S)-4-ethyl-6-methyl…

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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) 1.52 3.05 -44.57 2 4 1 54 289.465 2 ↓
Lo Low (pH 4.5-6) 1.52 4.62 -123.86 3 4 2 55 290.473 2 ↓

Analogs

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Popular Name: (3R)-3-[(4S,6R)-4,6-dimethyl-1,5-diazocan-1-yl]thiane (3R)-3-[(4S,6R)-4,6-dimethyl-1,5…

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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 3.23 -42.94 2 4 1 54 275.438 1 ↓
Lo Low (pH 4.5-6) 0.98 3.94 -122.74 3 4 2 55 276.446 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(4S,6S)-4,6-dimethyl-1,5-diazocan-1-yl]thiane (3R)-3-[(4S,6S)-4,6-dimethyl-1,5…

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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 2.2 -44.8 2 4 1 54 275.438 1 ↓
Lo Low (pH 4.5-6) 0.98 3.76 -122.49 3 4 2 55 276.446 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(4R,6R)-4,6-dimethyl-1,5-diazocan-1-yl]thiane (3R)-3-[(4R,6R)-4,6-dimethyl-1,5…

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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 2.23 -44.64 2 4 1 54 275.438 1 ↓
Lo Low (pH 4.5-6) 0.98 3.58 -123.32 3 4 2 55 276.446 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(4R)-4-ethyl-1,5-diazocan-1-yl]thiane (3R)-3-[(4R)-4-ethyl-1,5-diazoca…

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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) 1.19 2.76 -46.12 2 4 1 54 275.438 2 ↓
Lo Low (pH 4.5-6) 1.19 4.27 -128.57 3 4 2 55 276.446 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(4S)-4-ethyl-1,5-diazocan-1-yl]thiane (3R)-3-[(4S)-4-ethyl-1,5-diazoca…

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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) 1.19 3.45 -46.56 2 4 1 54 275.438 2 ↓
Lo Low (pH 4.5-6) 1.19 4.09 -125.35 3 4 2 55 276.446 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(3R,6R)-6-ethyl-3-methyl-1,5-diazocan-1-yl]thiane (3R)-3-[(3R,6R)-6-ethyl-3-methyl…

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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) 1.66 3.12 -43.52 2 4 1 54 289.465 2 ↓
Lo Low (pH 4.5-6) 1.66 4.81 -129.15 3 4 2 55 290.473 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(3R,6S)-6-ethyl-3-methyl-1,5-diazocan-1-yl]thiane (3R)-3-[(3R,6S)-6-ethyl-3-methyl…

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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) 1.66 3.23 -45.34 2 4 1 54 289.465 2 ↓
Lo Low (pH 4.5-6) 1.66 4.69 -124.46 3 4 2 55 290.473 2 ↓

Parameters Provided:

ring.id = 290624
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 = 290624 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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