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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)-4-(5-chloro-2-methyl-phenyl)-3-[(3R)-1-methyl-3-piperidyl]-3H-1,2,4-triazol-5-one (3S)-4-(5-chloro-2-methyl-phenyl…

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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) 2.36 9 -44.52 2 5 1 55 307.805 2 ↓
Hi High (pH 8-9.5) 2.36 6.75 -7.99 1 5 0 54 306.797 2 ↓

Analogs

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Popular Name: (3S)-4-(5-chloro-2-methyl-phenyl)-3-[(3S)-1-methyl-3-piperidyl]-3H-1,2,4-triazol-5-one (3S)-4-(5-chloro-2-methyl-phenyl…

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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) 2.36 9.12 -45.52 2 5 1 55 307.805 2 ↓
Hi High (pH 8-9.5) 2.36 6.62 -8 1 5 0 54 306.797 2 ↓

Analogs

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Popular Name: N,N-diethyl-2-oxo-2-[(3S)-3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)-1-piperidyl]acetamide N,N-diethyl-2-oxo-2-[(3S)-3-(5-o…

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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) 0.31 7.86 -18.38 1 8 0 91 371.441 5 ↓

Analogs

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Popular Name: N,N-diethyl-2-oxo-2-[(3R)-3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)-1-piperidyl]acetamide N,N-diethyl-2-oxo-2-[(3R)-3-(5-o…

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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) 0.31 7.98 -16.12 1 8 0 91 371.441 5 ↓

Analogs

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Popular Name: 5-[(3S)-1-(3-ethylsulfanylpropanoyl)-3-piperidyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one 5-[(3S)-1-(3-ethylsulfanylpropan…

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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 11.21 -15.23 0 6 0 60 374.51 6 ↓

Analogs

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Popular Name: 5-[(3R)-1-(3-ethylsulfanylpropanoyl)-3-piperidyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one 5-[(3R)-1-(3-ethylsulfanylpropan…

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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 11.24 -15.2 0 6 0 60 374.51 6 ↓

Analogs

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Popular Name: 5-[(3R)-1-allylsulfonyl-3-piperidyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one 5-[(3R)-1-allylsulfonyl-3-piperi…

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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) 0.97 7.37 -18.54 0 7 0 77 362.455 5 ↓

Analogs

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Popular Name: 5-[(3S)-1-allylsulfonyl-3-piperidyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one 5-[(3S)-1-allylsulfonyl-3-piperi…

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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) 0.97 7.41 -16.88 0 7 0 77 362.455 5 ↓

Analogs

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Popular Name: 5-[(3R)-1-(2-aminoacetyl)-3-piperidyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one 5-[(3R)-1-(2-aminoacetyl)-3-pipe…

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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) -0.92 5.78 -59.36 3 7 1 88 316.385 3 ↓
Hi High (pH 8-9.5) -0.92 5.38 -17.21 2 7 0 86 315.377 3 ↓

Analogs

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Popular Name: 5-[(3S)-1-(2-aminoacetyl)-3-piperidyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one 5-[(3S)-1-(2-aminoacetyl)-3-pipe…

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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) -0.92 5.77 -59.37 3 7 1 88 316.385 3 ↓
Hi High (pH 8-9.5) -0.92 5.36 -16.96 2 7 0 86 315.377 3 ↓

Analogs

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Popular Name: 2-pent-2-ynyl-4-phenyl-5-[(3R)-3-piperidyl]-1,2,4-triazol-3-one 2-pent-2-ynyl-4-phenyl-5-[(3R)-3…

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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) 1.83 10.25 -53.68 2 5 1 56 311.409 3 ↓

Analogs

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Popular Name: 2-pent-2-ynyl-4-phenyl-5-[(3S)-3-piperidyl]-1,2,4-triazol-3-one 2-pent-2-ynyl-4-phenyl-5-[(3S)-3…

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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) 1.83 10.27 -52.54 2 5 1 56 311.409 3 ↓

Analogs

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Popular Name: 5-[(3R)-1-(2-hydroxyacetyl)-3-piperidyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one 5-[(3R)-1-(2-hydroxyacetyl)-3-pi…

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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) -0.36 6.22 -21.23 1 7 0 80 316.361 3 ↓

Analogs

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Popular Name: 5-[(3S)-1-(2-hydroxyacetyl)-3-piperidyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one 5-[(3S)-1-(2-hydroxyacetyl)-3-pi…

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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) -0.36 6.21 -21.27 1 7 0 80 316.361 3 ↓

Analogs

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Popular Name: 5-[(3R)-1-(2-methoxyacetyl)-3-piperidyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one 5-[(3R)-1-(2-methoxyacetyl)-3-pi…

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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) 0.26 8.5 -19.48 0 7 0 69 330.388 4 ↓

Analogs

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Popular Name: 5-[(3S)-1-(2-methoxyacetyl)-3-piperidyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one 5-[(3S)-1-(2-methoxyacetyl)-3-pi…

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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) 0.26 8.49 -19.47 0 7 0 69 330.388 4 ↓

Analogs

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Popular Name: 2-methyl-5-[(3S)-1-[(E)-2-methylbut-2-enyl]-3-piperidyl]-4-phenyl-1,2,4-triazol-3-one 2-methyl-5-[(3S)-1-[(E)-2-methyl…

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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) 2.40 11.9 -45.21 1 5 1 44 327.452 4 ↓

Analogs

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Popular Name: 2-methyl-5-[(3R)-1-[(E)-2-methylbut-2-enyl]-3-piperidyl]-4-phenyl-1,2,4-triazol-3-one 2-methyl-5-[(3R)-1-[(E)-2-methyl…

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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) 2.40 11.91 -45.15 1 5 1 44 327.452 4 ↓

Parameters Provided:

ring.id = 415643
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 = 415643 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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