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

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Popular Name: (2S)-2-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine (2S)-2-[[4-[(1R)-1-methylpropyl]…

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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) 2.78 5.78 -33.77 2 4 1 29 290.431 4 ↓
Hi High (pH 8-9.5) 2.78 3.88 -5.06 1 4 0 28 289.423 4 ↓

Analogs

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Popular Name: (2S)-2-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine (2S)-2-[[4-[(1S)-1-methylpropyl]…

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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) 2.78 5.87 -33.9 2 4 1 29 290.431 4 ↓
Hi High (pH 8-9.5) 2.78 4.04 -5.06 1 4 0 28 289.423 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine (2R)-2-[[4-[(1R)-1-methylpropyl]…

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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) 2.78 5.87 -33.59 2 4 1 29 290.431 4 ↓
Hi High (pH 8-9.5) 2.78 3.92 -5.04 1 4 0 28 289.423 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine (2R)-2-[[4-[(1S)-1-methylpropyl]…

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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) 2.78 5.87 -33.58 2 4 1 29 290.431 4 ↓
Hi High (pH 8-9.5) 2.78 3.97 -4.99 1 4 0 28 289.423 4 ↓

Analogs

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Popular Name: (2S)-2-[(4-isobutylpiperazin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine (2S)-2-[(4-isobutylpiperazin-1-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) 2.70 6.26 -35.37 2 4 1 29 290.431 4 ↓
Hi High (pH 8-9.5) 2.70 4.4 -5.21 1 4 0 28 289.423 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(4-isobutylpiperazin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine (2R)-2-[(4-isobutylpiperazin-1-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) 2.70 6.2 -35.33 2 4 1 29 290.431 4 ↓
Hi High (pH 8-9.5) 2.70 4.23 -5.16 1 4 0 28 289.423 4 ↓

Analogs

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Popular Name: (2S)-2-[(4-tert-butylpiperazin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine (2S)-2-[(4-tert-butylpiperazin-1…

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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 5.55 -32.9 2 4 1 29 290.431 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(4-tert-butylpiperazin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine (2R)-2-[(4-tert-butylpiperazin-1…

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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 5.5 -32.67 2 4 1 29 290.431 3 ↓

Parameters Provided:

ring.id = 395169
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 = 395169 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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