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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)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)tetrahydrothiophen-3-amine (3R)-N-(2,3-dihydro-1,4-benzodio…

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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) 1.65 6.04 -49.74 2 3 1 35 252.359 3 ↓

Analogs

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Popular Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)tetrahydrothiophen-3-amine (3S)-N-(2,3-dihydro-1,4-benzodio…

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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) 1.65 5.99 -50.29 2 3 1 35 252.359 3 ↓

Analogs

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Popular Name: 7-[[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine 7-[[methyl-[(3R)-tetrahydrothiop…

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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) 1.31 5.86 -42.12 3 4 1 49 281.401 3 ↓

Analogs

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Popular Name: 7-[[methyl-[(3S)-tetrahydrothiophen-3-yl]amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine 7-[[methyl-[(3S)-tetrahydrothiop…

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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) 1.31 5.91 -42.47 3 4 1 49 281.401 3 ↓

Analogs

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Popular Name: (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]ethane-1,2-diamin (1R)-1-(2,3-dihydro-1,4-benzodio…

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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 3.93 -56.44 3 4 1 49 295.428 4 ↓
Mid Mid (pH 6-8) 0.88 5.79 -139.24 4 4 2 51 296.436 4 ↓

Analogs

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Popular Name: (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]ethane-1,2-diamin (1R)-1-(2,3-dihydro-1,4-benzodio…

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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 3.9 -55.5 3 4 1 49 295.428 4 ↓
Mid Mid (pH 6-8) 0.88 5.77 -138.46 4 4 2 51 296.436 4 ↓

Analogs

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Popular Name: (1R)-1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]ethane-1, (1R)-1-(5-bromo-2,3-dihydro-1,4-…

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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) 1.82 4.3 -56.31 3 4 1 49 374.324 4 ↓
Mid Mid (pH 6-8) 1.82 5.75 -140.57 4 4 2 51 375.332 4 ↓

Analogs

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Popular Name: (1R)-1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]ethane-1, (1R)-1-(5-bromo-2,3-dihydro-1,4-…

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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) 1.82 4.55 -58.01 3 4 1 49 374.324 4 ↓
Mid Mid (pH 6-8) 1.82 6.43 -141.48 4 4 2 51 375.332 4 ↓

Analogs

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Popular Name: (1R)-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]ethane-1 (1R)-1-(5-chloro-2,3-dihydro-1,4…

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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) 1.69 4.17 -56.56 3 4 1 49 329.873 4 ↓
Mid Mid (pH 6-8) 1.69 5.63 -140.86 4 4 2 51 330.881 4 ↓

Analogs

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Popular Name: (1R)-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]ethane-1 (1R)-1-(5-chloro-2,3-dihydro-1,4…

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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) 1.69 4.42 -58.21 3 4 1 49 329.873 4 ↓
Mid Mid (pH 6-8) 1.69 6.3 -141.7 4 4 2 51 330.881 4 ↓

Parameters Provided:

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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 = 23335 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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