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

Analogs

12004489
12004489

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Popular Name: (2R)-2-methyl-4-(3-phenylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine (2R)-2-methyl-4-(3-phenylpropyl)…

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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) 4.30 1.5 -39.48 1 2 1 14 282.407 4 ↓

Analogs

12004485
12004485

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Popular Name: (2S)-2-methyl-4-(3-phenylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine (2S)-2-methyl-4-(3-phenylpropyl)…

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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) 4.30 1.51 -39.51 1 2 1 14 282.407 4 ↓

Analogs

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Popular Name: (1R)-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-phenyl-propan-1-amine (1R)-3-(3,5-dihydro-2H-1,4-benzo…

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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) 1.00 6.02 -50.92 3 3 1 40 283.395 4 ↓
Hi High (pH 8-9.5) 1.00 5.69 -5.55 2 3 0 38 282.387 4 ↓
Lo Low (pH 4.5-6) 1.00 7.78 -40.46 3 3 1 40 283.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-phenyl-propan-1-amine (1S)-3-(3,5-dihydro-2H-1,4-benzo…

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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) 1.00 6.02 -50.98 3 3 1 40 283.395 4 ↓
Hi High (pH 8-9.5) 1.00 5.73 -4.98 2 3 0 38 282.387 4 ↓
Lo Low (pH 4.5-6) 1.00 7.81 -36.75 3 3 1 40 283.395 4 ↓

Analogs

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Popular Name: (2S)-1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-phenyl-propan-2-amine (2S)-1-(3,5-dihydro-2H-1,4-benzo…

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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) 2.28 6.74 -44.79 3 3 1 40 283.395 4 ↓
Hi High (pH 8-9.5) 2.28 5.94 -5 2 3 0 38 282.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-phenyl-propan-2-amine (2R)-1-(3,5-dihydro-2H-1,4-benzo…

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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) 2.28 6.76 -44.78 3 3 1 40 283.395 4 ↓
Hi High (pH 8-9.5) 2.28 6.2 -4.44 2 3 0 38 282.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-phenyl-propan-1-ol (1R)-3-(3,5-dihydro-2H-1,4-benzo…

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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) 2.69 7.63 -39.75 2 3 1 34 284.379 4 ↓
Mid Mid (pH 6-8) 2.69 5.55 -6.21 1 3 0 33 283.371 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-phenyl-propan-1-ol (1S)-3-(3,5-dihydro-2H-1,4-benzo…

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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) 2.69 7.66 -39.96 2 3 1 34 284.379 4 ↓
Mid Mid (pH 6-8) 2.69 5.58 -6.45 1 3 0 33 283.371 4 ↓

Parameters Provided:

ring.id = 72037
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 = 72037 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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