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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: [(2R,4R)-4-methoxypyrrolidin-2-yl]-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone [(2R,4R)-4-methoxypyrrolidin-2-y…

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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) 1.45 5.68 -40.78 2 4 1 46 275.372 2 ↓
Mid Mid (pH 6-8) 1.45 4.31 -10.56 1 4 0 42 274.364 2 ↓

Analogs

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Popular Name: [(2R,4S)-4-methoxypyrrolidin-2-yl]-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone [(2R,4S)-4-methoxypyrrolidin-2-y…

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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) 1.45 5.64 -39.02 2 4 1 46 275.372 2 ↓
Mid Mid (pH 6-8) 1.45 4.26 -8.15 1 4 0 42 274.364 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4R)-4-methoxypyrrolidin-2-yl]-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone [(2S,4R)-4-methoxypyrrolidin-2-y…

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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) 1.45 5.49 -38.18 2 4 1 46 275.372 2 ↓
Mid Mid (pH 6-8) 1.45 4.19 -8.53 1 4 0 42 274.364 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4S)-4-methoxypyrrolidin-2-yl]-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone [(2S,4S)-4-methoxypyrrolidin-2-y…

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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) 1.45 5.54 -40.78 2 4 1 46 275.372 2 ↓
Mid Mid (pH 6-8) 1.45 4.31 -11.71 1 4 0 42 274.364 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-pyrrolidin-2-yl]-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone [(2S)-pyrrolidin-2-yl]-(1,3,4,5-…

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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) 1.75 6.67 -38.26 2 3 1 37 245.346 1 ↓
Hi High (pH 8-9.5) 1.75 5.47 -11.37 1 3 0 32 244.338 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-pyrrolidin-2-yl]-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone [(2R)-pyrrolidin-2-yl]-(1,3,4,5-…

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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) 1.75 6.7 -39.13 2 3 1 37 245.346 1 ↓
Hi High (pH 8-9.5) 1.75 5.22 -8.03 1 3 0 32 244.338 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4S)-4-hydroxypyrrolidin-2-yl]-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone [(2S,4S)-4-hydroxypyrrolidin-2-y…

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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) 0.83 3.27 -42.45 3 4 1 57 261.345 1 ↓
Hi High (pH 8-9.5) 0.83 2.07 -13.76 2 4 0 53 260.337 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,4S)-4-hydroxypyrrolidin-2-yl]-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone [(2R,4S)-4-hydroxypyrrolidin-2-y…

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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) 0.83 3.13 -39.67 3 4 1 57 261.345 1 ↓
Hi High (pH 8-9.5) 0.83 1.75 -8.5 2 4 0 53 260.337 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4R)-4-hydroxypyrrolidin-2-yl]-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone [(2S,4R)-4-hydroxypyrrolidin-2-y…

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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) 0.83 3.34 -38.76 3 4 1 57 261.345 1 ↓
Hi High (pH 8-9.5) 0.83 2.04 -10.17 2 4 0 53 260.337 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,4R)-4-hydroxypyrrolidin-2-yl]-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone [(2R,4R)-4-hydroxypyrrolidin-2-y…

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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) 0.83 3.19 -42.02 3 4 1 57 261.345 1 ↓
Hi High (pH 8-9.5) 0.83 1.84 -9.71 2 4 0 53 260.337 1 ↓

Parameters Provided:

ring.id = 315222
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 = 315222 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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