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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: (3S)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(4-isopropylpiperazin-1-yl)methyl]piperidin-2-one (3S)-1-[(2,3-difluorophenyl)meth…

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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) 1.72 8.12 -33.62 2 5 1 48 382.475 5 ↓
Hi High (pH 8-9.5) 1.72 5.83 -16.06 1 5 0 47 381.467 5 ↓

Analogs

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Popular Name: (3R)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(4-isopropylpiperazin-1-yl)methyl]piperidin-2-one (3R)-1-[(2,3-difluorophenyl)meth…

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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) 1.72 7.9 -33.49 2 5 1 48 382.475 5 ↓
Hi High (pH 8-9.5) 1.72 5.63 -7.58 1 5 0 47 381.467 5 ↓

Analogs

23358705
23358705
67679211
67679211
67679214
67679214
67694647
67694647
67694649
67694649

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Popular Name: (3R)-3-hydroxy-1-[(4-isopropylphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one (3R)-3-hydroxy-1-[(4-isopropylph…

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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) 2.32 7.83 -39.11 2 5 1 48 360.522 5 ↓
Mid Mid (pH 6-8) 2.32 5.46 -10.03 1 5 0 47 359.514 5 ↓
Lo Low (pH 4.5-6) 2.32 7.3 -35.51 2 5 1 48 360.522 5 ↓

Analogs

67679211
67679211
67679214
67679214
67694647
67694647
67694649
67694649
67856559
67856559

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-hydroxy-1-[(4-isopropylphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one (3S)-3-hydroxy-1-[(4-isopropylph…

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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) 2.32 8.84 -31.49 2 5 1 48 360.522 5 ↓
Mid Mid (pH 6-8) 2.32 6.47 -9.03 1 5 0 47 359.514 5 ↓
Lo Low (pH 4.5-6) 2.32 7.52 -28.33 2 5 1 48 360.522 5 ↓

Analogs

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Popular Name: (3S)-3-[(4-acetylpiperazin-1-yl)methyl]-3-hydroxy-1-[(4-isopropylphenyl)methyl]piperidin-2-one (3S)-3-[(4-acetylpiperazin-1-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) 1.68 7.81 -14.51 1 6 0 64 387.524 5 ↓
Lo Low (pH 4.5-6) 1.68 8.87 -38.87 2 6 1 65 388.532 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(4-acetylpiperazin-1-yl)methyl]-3-hydroxy-1-[(4-isopropylphenyl)methyl]piperidin-2-one (3R)-3-[(4-acetylpiperazin-1-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) 1.68 6.81 -16.17 1 6 0 64 387.524 5 ↓
Lo Low (pH 4.5-6) 1.68 8.67 -47.64 2 6 1 65 388.532 5 ↓

Analogs

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Popular Name: (3S)-3-hydroxy-1-[(4-isopropylphenyl)methyl]-3-[(3,3,4-trimethylpiperazin-1-yl)methyl]piperidin-2-on (3S)-3-hydroxy-1-[(4-isopropylph…

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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) 3.13 10.03 -28.9 2 5 1 48 388.576 5 ↓
Hi High (pH 8-9.5) 3.13 7.77 -7.56 1 5 0 47 387.568 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-hydroxy-1-[(4-isopropylphenyl)methyl]-3-[(3,3,4-trimethylpiperazin-1-yl)methyl]piperidin-2-on (3R)-3-hydroxy-1-[(4-isopropylph…

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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) 3.13 9.02 -36.43 2 5 1 48 388.576 5 ↓
Hi High (pH 8-9.5) 3.13 6.76 -9.84 1 5 0 47 387.568 5 ↓

Analogs

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Popular Name: (3S)-3-[(4-allylpiperazin-1-yl)methyl]-1-[(2-fluoro-5-methoxy-phenyl)methyl]-3-hydroxy-piperidin-2-o (3S)-3-[(4-allylpiperazin-1-yl)m…

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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) 1.60 7.48 -31.12 2 6 1 57 392.495 7 ↓
Mid Mid (pH 6-8) 1.60 5.21 -10.91 1 6 0 56 391.487 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(4-allylpiperazin-1-yl)methyl]-1-[(2-fluoro-5-methoxy-phenyl)methyl]-3-hydroxy-piperidin-2-o (3R)-3-[(4-allylpiperazin-1-yl)m…

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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) 1.60 6.44 -40.31 2 6 1 57 392.495 7 ↓
Mid Mid (pH 6-8) 1.60 4.17 -12.39 1 6 0 56 391.487 7 ↓

Parameters Provided:

ring.id = 67071
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 = 67071 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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