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

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cycloheptanamine (1S,2S)-2-(3,5-dihydro-2H-1,4-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) 2.76 5.33 -49.21 3 3 1 40 275.416 2 ↓
Lo Low (pH 4.5-6) 2.76 7.26 -123.57 4 3 2 41 276.424 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cycloheptanamine (1S,2R)-2-(3,5-dihydro-2H-1,4-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) 2.76 5.6 -49.55 3 3 1 40 275.416 2 ↓
Lo Low (pH 4.5-6) 2.76 7.36 -124.39 4 3 2 41 276.424 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-methyl-cycloheptanamine (1R,2R)-2-(3,5-dihydro-2H-1,4-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) 3.67 7.62 -43.59 2 3 1 29 289.443 3 ↓
Lo Low (pH 4.5-6) 3.67 9.15 -117.08 3 3 2 30 290.451 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-methyl-cycloheptanamine (1S,2R)-2-(3,5-dihydro-2H-1,4-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) 3.67 7.54 -43.45 2 3 1 29 289.443 3 ↓
Lo Low (pH 4.5-6) 3.67 9.25 -118.08 3 3 2 30 290.451 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-methyl-cycloheptanamine (1R,2S)-2-(3,5-dihydro-2H-1,4-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) 3.67 7.72 -43.59 2 3 1 29 289.443 3 ↓
Lo Low (pH 4.5-6) 3.67 9.28 -117.63 3 3 2 30 290.451 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-methyl-cycloheptanamine (1S,2S)-2-(3,5-dihydro-2H-1,4-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) 3.67 7.62 -43.56 2 3 1 29 289.443 3 ↓
Lo Low (pH 4.5-6) 3.67 9.15 -117.05 3 3 2 30 290.451 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cycloheptanol (1S,2S)-2-(3,5-dihydro-2H-1,4-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) 3.25 6.76 -34.51 2 3 1 34 276.4 2 ↓
Hi High (pH 8-9.5) 3.25 5.33 -4.6 1 3 0 33 275.392 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cycloheptanol (1S,2R)-2-(3,5-dihydro-2H-1,4-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) 3.25 6.83 -33.51 2 3 1 34 276.4 2 ↓
Hi High (pH 8-9.5) 3.25 5.38 -4.65 1 3 0 33 275.392 2 ↓

Parameters Provided:

ring.id = 333740
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 = 333740 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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