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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-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(3-methylbut-2-enyl)piperidine (2S)-2-[(3,5-dimethyl-1,2,4-tria…

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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) 2.24 9.47 -39.95 1 4 1 35 263.409 4 ↓
Hi High (pH 8-9.5) 2.24 7.24 -7.06 0 4 0 34 262.401 4 ↓

Analogs

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Popular Name: (2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(3-methylbut-2-enyl)piperidine (2R)-2-[(3,5-dimethyl-1,2,4-tria…

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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) 2.24 10.04 -41.88 1 4 1 35 263.409 4 ↓
Hi High (pH 8-9.5) 2.24 7.76 -6.91 0 4 0 34 262.401 4 ↓

Analogs

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Popular Name: (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(3-methylsulfonylpropyl)piperidine (2S)-2-[(3,5-dimethyl-1,2,4-tria…

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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) 0.23 5.77 -55.91 1 6 1 69 315.463 6 ↓
Hi High (pH 8-9.5) 0.23 3.64 -17.85 0 6 0 68 314.455 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(3-methylsulfonylpropyl)piperidine (2R)-2-[(3,5-dimethyl-1,2,4-tria…

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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) 0.23 6.34 -59.93 1 6 1 69 315.463 6 ↓
Hi High (pH 8-9.5) 0.23 4.21 -19.89 0 6 0 68 314.455 6 ↓

Analogs

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Popular Name: 3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-piperidyl]-N,N-dimethyl-propane-1-sulfonamide 3-[(2S)-2-[(3,5-dimethyl-1,2,4-t…

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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) 0.24 6.29 -55.04 1 7 1 73 344.505 7 ↓
Hi High (pH 8-9.5) 0.24 4.16 -15.62 0 7 0 71 343.497 7 ↓

Analogs

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Popular Name: 3-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-piperidyl]-N,N-dimethyl-propane-1-sulfonamide 3-[(2R)-2-[(3,5-dimethyl-1,2,4-t…

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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) 0.24 6.86 -58.84 1 7 1 73 344.505 7 ↓
Hi High (pH 8-9.5) 0.24 4.72 -17.31 0 7 0 71 343.497 7 ↓

Analogs

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Popular Name: N,N-bis(cyanomethyl)-3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-piperidyl]propanamide N,N-bis(cyanomethyl)-3-[(2S)-2-[…

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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) -0.25 9.18 -65.02 1 8 1 103 344.443 7 ↓
Hi High (pH 8-9.5) -0.25 7.06 -24.19 0 8 0 102 343.435 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-bis(cyanomethyl)-3-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-piperidyl]propanamide N,N-bis(cyanomethyl)-3-[(2R)-2-[…

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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) -0.25 9.74 -63.7 1 8 1 103 344.443 7 ↓
Hi High (pH 8-9.5) -0.25 7.64 -22.05 0 8 0 102 343.435 7 ↓

Analogs

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Popular Name: 3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-piperidyl]propan-1-ol 3-[(2S)-2-[(3,5-dimethyl-1,2,4-t…

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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) 0.20 4.87 -43.72 2 5 1 55 253.37 5 ↓
Hi High (pH 8-9.5) 0.20 2.74 -9.15 1 5 0 54 252.362 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-piperidyl]propan-1-ol 3-[(2R)-2-[(3,5-dimethyl-1,2,4-t…

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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) 0.20 5.45 -45.57 2 5 1 55 253.37 5 ↓
Hi High (pH 8-9.5) 0.20 3.31 -9.67 1 5 0 54 252.362 5 ↓

Parameters Provided:

ring.id = 467916
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 = 467916 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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