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

43990200
43990200
43990205
43990205
43990210
43990210
43990215
43990215
43990218
43990218

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole hydrochloride 1-(pyrrolidin-2-ylmethyl)-1H-1,2…

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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) -0.36 4.8 -40.27 2 4 1 47 153.209 2 ↓

Analogs

43990200
43990200
43990205
43990205
43990210
43990210
43990215
43990215
43990218
43990218

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole hydrochloride 1-(pyrrolidin-2-ylmethyl)-1H-1,2…

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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) -0.36 5.14 -36.33 2 4 1 47 153.209 2 ↓

Analogs

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Popular Name: 3,5-dimethyl-1-[[(2S)-1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methyl]-1,2,4-triazole 3,5-dimethyl-1-[[(2S)-1-(2-methy…

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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) -0.55 2.7 -18.49 0 6 0 68 286.401 5 ↓
Mid Mid (pH 6-8) -0.55 4.96 -47.8 1 6 1 69 287.409 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-1-[[(2R)-1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methyl]-1,2,4-triazole 3,5-dimethyl-1-[[(2R)-1-(2-methy…

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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) -0.55 2.18 -17.13 0 6 0 68 286.401 5 ↓
Mid Mid (pH 6-8) -0.55 4.51 -58.38 1 6 1 69 287.409 5 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]acetamide N-(2-cyanoethyl)-2-[(2S)-2-[(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) -0.88 6.44 -49.07 2 7 1 88 291.379 6 ↓
Hi High (pH 8-9.5) -0.88 4.26 -21.71 1 7 0 87 290.371 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyanoethyl)-2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]acetamide N-(2-cyanoethyl)-2-[(2R)-2-[(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) -0.88 5.98 -58.98 2 7 1 88 291.379 6 ↓
Hi High (pH 8-9.5) -0.88 3.73 -21.86 1 7 0 87 290.371 6 ↓

Analogs

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Popular Name: N,N-bis(cyanomethyl)-3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]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) -0.75 9.14 -52.55 1 8 1 103 330.416 7 ↓
Hi High (pH 8-9.5) -0.75 6.89 -21.75 0 8 0 102 329.408 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]pyrrolidin-1-yl]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) -0.75 8.67 -64.72 1 8 1 103 330.416 7 ↓
Hi High (pH 8-9.5) -0.75 6.36 -21.71 0 8 0 102 329.408 7 ↓

Analogs

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Popular Name: 3,5-dimethyl-1-[[(2S)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methyl]-1,2,4-triazole 3,5-dimethyl-1-[[(2S)-1-(3-methy…

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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) 1.73 9.34 -32.73 1 4 1 35 249.382 4 ↓
Hi High (pH 8-9.5) 1.73 7.12 -8.96 0 4 0 34 248.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-1-[[(2R)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methyl]-1,2,4-triazole 3,5-dimethyl-1-[[(2R)-1-(3-methy…

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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) 1.73 9.33 -35.82 1 4 1 35 249.382 4 ↓
Hi High (pH 8-9.5) 1.73 7.66 -7.21 0 4 0 34 248.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2R)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methyl]-1,2,4-triazole 1-[[(2R)-1-(3-methylbut-2-enyl)p…

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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) 1.56 9.67 -34.99 1 4 1 35 221.328 4 ↓
Hi High (pH 8-9.5) 1.56 7.25 -6.12 0 4 0 34 220.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2S)-1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methyl]-1,2,4-triazole 1-[[(2S)-1-(3-methylbut-2-enyl)p…

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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) 1.56 10.14 -31.87 1 4 1 35 221.328 4 ↓
Hi High (pH 8-9.5) 1.56 8.22 -7.72 0 4 0 34 220.32 4 ↓

Parameters Provided:

ring.id = 99568
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 = 99568 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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