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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19906070
19906070

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-propylcyclohexyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine N-(4-propylcyclohexyl)-3,4-dihyd…

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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) 5.16 8.95 -5.64 1 3 0 30 289.419 4 ↓

Analogs

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Popular Name: (1S,2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)cyclohexanecarbonitrile (1S,2R)-2-(3,4-dihydro-2H-1,5-be…

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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) 3.80 6.6 -12.08 1 4 0 54 272.348 2 ↓

Analogs

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Popular Name: (1S,2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)cyclohexanecarbonitrile (1S,2S)-2-(3,4-dihydro-2H-1,5-be…

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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) 3.80 6.94 -10.98 1 4 0 54 272.348 2 ↓

Analogs

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Popular Name: (1R,2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)cyclohexanecarbonitrile (1R,2R)-2-(3,4-dihydro-2H-1,5-be…

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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) 3.80 6.94 -10.29 1 4 0 54 272.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)cyclohexanecarbonitrile (1R,2S)-2-(3,4-dihydro-2H-1,5-be…

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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) 3.80 6.61 -11.41 1 4 0 54 272.348 2 ↓

Analogs

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Popular Name: N-[(1S,3R)-3-methoxycyclohexyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine N-[(1S,3R)-3-methoxycyclohexyl]-…

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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) 3.38 5.61 -6.56 1 4 0 40 277.364 3 ↓
Lo Low (pH 4.5-6) 3.38 5.88 -42.33 2 4 1 44 278.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,3S)-3-methoxycyclohexyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine N-[(1S,3S)-3-methoxycyclohexyl]-…

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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) 3.38 5.92 -6.39 1 4 0 40 277.364 3 ↓
Lo Low (pH 4.5-6) 3.38 6.01 -41.64 2 4 1 44 278.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,3R)-3-methoxycyclohexyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine N-[(1R,3R)-3-methoxycyclohexyl]-…

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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) 3.38 5.92 -6.39 1 4 0 40 277.364 3 ↓
Lo Low (pH 4.5-6) 3.38 6.01 -41.16 2 4 1 44 278.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,3S)-3-methoxycyclohexyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine N-[(1R,3S)-3-methoxycyclohexyl]-…

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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) 3.38 5.61 -6.58 1 4 0 40 277.364 3 ↓
Lo Low (pH 4.5-6) 3.38 5.87 -42.52 2 4 1 44 278.372 3 ↓

Analogs

37875756
37875756
37875757
37875757
37875758
37875758
37875759
37875759

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-methoxycyclohexyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine N-[(1S,2R)-2-methoxycyclohexyl]-…

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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) 3.61 5.96 -6.63 1 4 0 40 277.364 3 ↓

Analogs

37875756
37875756
37875757
37875757
37875758
37875758
37875759
37875759

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-2-methoxycyclohexyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine N-[(1S,2S)-2-methoxycyclohexyl]-…

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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) 3.61 5.66 -6.52 1 4 0 40 277.364 3 ↓

Analogs

37875756
37875756
37875757
37875757
37875758
37875758
37875759
37875759

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-methoxycyclohexyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine N-[(1R,2R)-2-methoxycyclohexyl]-…

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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) 3.61 5.66 -6.3 1 4 0 40 277.364 3 ↓

Analogs

37875756
37875756
37875757
37875757
37875758
37875758
37875759
37875759

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-2-methoxycyclohexyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine N-[(1R,2S)-2-methoxycyclohexyl]-…

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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) 3.61 5.96 -6.37 1 4 0 40 277.364 3 ↓

Parameters Provided:

ring.id = 61240
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 = 61240 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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