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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-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cycloheptanamine (1S,2S)-2-(1,3,4,5-tetrahydro-2-…

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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) 3.40 7.26 -48.29 3 2 1 31 273.444 2 ↓
Mid Mid (pH 6-8) 3.40 9.03 -123.69 4 2 2 32 274.452 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cycloheptanamine (1S,2R)-2-(1,3,4,5-tetrahydro-2-…

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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) 3.40 7.35 -47.81 3 2 1 31 273.444 2 ↓
Mid Mid (pH 6-8) 3.40 9.1 -124.93 4 2 2 32 274.452 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cycloheptanamine (1R,2R)-N-methyl-2-(1,3,4,5-tetr…

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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) 4.31 9.41 -41.59 2 2 1 20 287.471 3 ↓
Mid Mid (pH 6-8) 4.31 11.06 -115.22 3 2 2 21 288.479 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cycloheptanamine (1S,2R)-N-methyl-2-(1,3,4,5-tetr…

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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) 4.31 9.45 -41.93 2 2 1 20 287.471 3 ↓
Mid Mid (pH 6-8) 4.31 11.01 -118.16 3 2 2 21 288.479 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cycloheptanamine (1R,2S)-N-methyl-2-(1,3,4,5-tetr…

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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) 4.31 9.44 -41.92 2 2 1 20 287.471 3 ↓
Mid Mid (pH 6-8) 4.31 11.02 -118.07 3 2 2 21 288.479 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cycloheptanamine (1S,2S)-N-methyl-2-(1,3,4,5-tetr…

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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) 4.31 9.41 -41.56 2 2 1 20 287.471 3 ↓
Mid Mid (pH 6-8) 4.31 11.03 -115.32 3 2 2 21 288.479 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cycloheptanol (1S,2S)-2-(1,3,4,5-tetrahydro-2-…

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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) 3.90 8.5 -33.47 2 2 1 25 274.428 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cycloheptanol (1S,2R)-2-(1,3,4,5-tetrahydro-2-…

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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) 3.90 8.6 -32.25 2 2 1 25 274.428 2 ↓

Parameters Provided:

ring.id = 314991
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 = 314991 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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