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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: 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-morpholino-propan-1-amine 2-methyl-N-[(1-methylpyrazol-4-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) 0.56 3.18 -44.72 2 5 1 47 253.37 5 ↓
Hi High (pH 8-9.5) 0.56 1.34 -6.31 1 5 0 42 252.362 5 ↓
Lo Low (pH 4.5-6) 0.56 5.05 -122.46 3 5 2 48 254.378 5 ↓

Analogs

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Popular Name: 2-methyl-2-morpholino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine 2-methyl-2-morpholino-N-[(1,3,5-…

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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) 1.00 4.2 -44.93 2 5 1 47 281.424 5 ↓
Hi High (pH 8-9.5) 1.00 2.92 -7.13 1 5 0 42 280.416 5 ↓
Lo Low (pH 4.5-6) 1.00 6.06 -124.8 3 5 2 48 282.432 5 ↓

Analogs

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Popular Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-morpholino-ethanamine N-[(3,5-dimethyl-1H-pyrazol-4-yl…

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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) 0.13 1.24 -46.41 3 5 1 58 239.343 5 ↓
Hi High (pH 8-9.5) 0.13 -0.13 -6.87 2 5 0 53 238.335 5 ↓
Lo Low (pH 4.5-6) 0.13 3.5 -124.66 4 5 2 59 240.351 5 ↓

Analogs

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Popular Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-2-morpholino-propan-1-amine N-[(3,5-dimethyl-1H-pyrazol-4-yl…

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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) 0.93 2.78 -44.21 3 5 1 58 267.397 5 ↓
Hi High (pH 8-9.5) 0.93 1.04 -6.36 2 5 0 53 266.389 5 ↓
Lo Low (pH 4.5-6) 0.93 4.6 -120.92 4 5 2 59 268.405 5 ↓

Analogs

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Popular Name: (2R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-2-morpholino-pentan-1-amine (2R)-N-[(3,5-dimethyl-1H-pyrazol…

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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) 1.77 4.14 -46.66 3 5 1 58 295.451 7 ↓
Lo Low (pH 4.5-6) 1.77 6.54 -122.55 4 5 2 59 296.459 7 ↓

Analogs

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Popular Name: (2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-2-morpholino-pentan-1-amine (2S)-N-[(3,5-dimethyl-1H-pyrazol…

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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) 1.77 4.02 -47.38 3 5 1 58 295.451 7 ↓
Lo Low (pH 4.5-6) 1.77 6.02 -129.72 4 5 2 59 296.459 7 ↓

Analogs

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Popular Name: N,N,2,5-tetramethyl-4-[[[(1S)-1-methyl-2-morpholino-ethyl]amino]methyl]pyrazol-3-amine N,N,2,5-tetramethyl-4-[[[(1S)-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) 0.53 4.75 -38.78 2 6 1 50 296.439 6 ↓
Hi High (pH 8-9.5) 0.53 3.28 -27.13 2 6 1 47 296.439 6 ↓
Hi High (pH 8-9.5) 0.53 3.14 -6.04 1 6 0 46 295.431 6 ↓

Analogs

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Popular Name: N,N,2,5-tetramethyl-4-[[[(1R)-1-methyl-2-morpholino-ethyl]amino]methyl]pyrazol-3-amine N,N,2,5-tetramethyl-4-[[[(1R)-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) 0.53 4.7 -39.24 2 6 1 50 296.439 6 ↓
Hi High (pH 8-9.5) 0.53 3.72 -26.43 2 6 1 47 296.439 6 ↓
Hi High (pH 8-9.5) 0.53 3.59 -5.66 1 6 0 46 295.431 6 ↓

Analogs

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Popular Name: (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3-isopropyl-5-methoxy-1-methyl-pyrazol-4-yl)methyl]p (2S)-2-[(2S,6R)-2,6-dimethylmorp…

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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) 2.26 4.94 -42.52 2 6 1 56 339.504 7 ↓
Hi High (pH 8-9.5) 2.26 3.18 -7.05 1 6 0 52 338.496 7 ↓
Lo Low (pH 4.5-6) 2.26 6.45 -122.34 3 6 2 57 340.512 7 ↓

Analogs

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Popular Name: (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[(3-isopropyl-5-methoxy-1-methyl-pyrazol-4-yl)methyl]p (2S)-2-[(2S,6S)-2,6-dimethylmorp…

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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) 2.26 5.22 -42.55 2 6 1 56 339.504 7 ↓
Hi High (pH 8-9.5) 2.26 3.45 -6.57 1 6 0 52 338.496 7 ↓
Lo Low (pH 4.5-6) 2.26 6.42 -121.66 3 6 2 57 340.512 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3-isopropyl-5-methoxy-1-methyl-pyrazol-4-yl)methyl]p (2S)-2-[(2R,6R)-2,6-dimethylmorp…

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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) 2.26 4.95 -43.1 2 6 1 56 339.504 7 ↓
Hi High (pH 8-9.5) 2.26 3.61 -5.43 1 6 0 52 338.496 7 ↓
Lo Low (pH 4.5-6) 2.26 6.42 -124.19 3 6 2 57 340.512 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-tert-butylpyrazol-4-yl)methyl]-2-morpholino-ethanamine N-[(1-tert-butylpyrazol-4-yl)met…

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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) 0.94 3.55 -45.29 2 5 1 47 267.397 6 ↓
Hi High (pH 8-9.5) 0.94 2.2 -6.59 1 5 0 42 266.389 6 ↓
Lo Low (pH 4.5-6) 0.94 5.82 -122.16 3 5 2 48 268.405 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]-2-morpholino-ethanamine N-[(3-isopropyl-1-methyl-pyrazol…

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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) 1.03 3.38 -47.37 2 5 1 47 267.397 6 ↓
Hi High (pH 8-9.5) 1.03 2.01 -6.92 1 5 0 42 266.389 6 ↓
Lo Low (pH 4.5-6) 1.03 5.63 -126.81 3 5 2 48 268.405 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-tert-butylpyrazol-4-yl)methyl]-2-methyl-2-morpholino-propan-1-amine N-[(1-tert-butylpyrazol-4-yl)met…

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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) 1.74 5.09 -42.86 2 5 1 47 295.451 6 ↓
Hi High (pH 8-9.5) 1.74 3.37 -6.06 1 5 0 42 294.443 6 ↓
Lo Low (pH 4.5-6) 1.74 6.91 -119.05 3 5 2 48 296.459 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]-2-methyl-2-morpholino-propan-1-amine N-[(3-isopropyl-1-methyl-pyrazol…

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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) 1.84 4.91 -44.77 2 5 1 47 295.451 6 ↓
Hi High (pH 8-9.5) 1.84 3.18 -6.43 1 5 0 42 294.443 6 ↓
Lo Low (pH 4.5-6) 1.84 6.73 -122.24 3 5 2 48 296.459 6 ↓

Parameters Provided:

ring.id = 23321
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 = 23321 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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