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

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,5-dimethyl-pyrazole-4-carbaldehyde 1-[(4,5-dimethyl-1,2,4-triazol-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) -0.14 5.89 -14.8 0 6 0 66 233.275 3 ↓

Analogs

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Popular Name: 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,5-dimethyl-pyrazole-4-carboxylic 1-[(4,5-dimethyl-1,2,4-triazol-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) -0.36 6.61 -56.18 0 7 -1 89 248.266 3 ↓

Analogs

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Popular Name: [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]methanol [1-[(4,5-dimethyl-1,2,4-triazol-…

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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) -0.59 3.33 -14.7 1 6 0 69 235.291 3 ↓

Analogs

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Popular Name: [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]methanamine [1-[(4,5-dimethyl-1,2,4-triazol-…

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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 4.05 -48.78 3 6 1 76 235.315 3 ↓
Hi High (pH 8-9.5) -0.75 3.65 -11.8 2 6 0 75 234.307 3 ↓

Analogs

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Popular Name: 1-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]-N-methyl-methanamine 1-[1-[(4,5-dimethyl-1,2,4-triazo…

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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) -0.37 5.92 -43.7 2 6 1 65 249.342 4 ↓
Hi High (pH 8-9.5) -0.37 4.47 -11.83 1 6 0 61 248.334 4 ↓

Analogs

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

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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) 0.00 6.79 -43.73 2 6 1 65 263.369 5 ↓
Hi High (pH 8-9.5) 0.00 5.41 -11.65 1 6 0 61 262.361 5 ↓

Analogs

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

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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) 0.51 7.55 -44.39 2 6 1 65 277.396 6 ↓
Hi High (pH 8-9.5) 0.51 6.18 -11.55 1 6 0 61 276.388 6 ↓

Analogs

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

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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) 0.30 7.3 -41.27 2 6 1 65 277.396 5 ↓
Hi High (pH 8-9.5) 0.30 6.09 -11.48 1 6 0 61 276.388 5 ↓

Analogs

2792245
2792245

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Popular Name: N-allyl-2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetamid N-allyl-2-[[5-[[3,5-bis(difluoro…

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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) 2.21 2.28 -16.96 1 7 0 77 406.409 10 ↓

Analogs

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Popular Name: 2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-isobutyl-acet 2-[[5-[[3,5-bis(difluoromethyl)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) 2.69 8.73 -16.79 1 7 0 78 422.452 10 ↓

Analogs

2792611
2792611

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Popular Name: N-allyl-2-[[4-ethyl-5-[(5-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]thio]acetamide N-allyl-2-[[4-ethyl-5-[(5-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) 0.88 -0.04 -12.28 1 7 0 77 320.422 8 ↓

Analogs

2792611
2792611

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Popular Name: 2-[[4-ethyl-5-[(5-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]thio]-N-isobutyl-acetamide 2-[[4-ethyl-5-[(5-methylpyrazol-…

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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) 1.35 0.09 -12.14 1 7 0 77 336.465 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]thio]acetamide N-allyl-2-[[4-methyl-5-[(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) 0.50 -0.27 -18.91 1 7 0 77 306.395 7 ↓

Analogs

2794143
2794143

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-2-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]thio]acetamide N-isobutyl-2-[[4-methyl-5-[(3-me…

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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) 0.98 -0.13 -18.76 1 7 0 77 322.438 7 ↓

Analogs

2794143
2794143

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Popular Name: N-allyl-2-[[4-(3-methoxypropyl)-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]thio]acetamide N-allyl-2-[[4-(3-methoxypropyl)-…

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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 -0.75 -14.96 1 8 0 86 364.475 11 ↓

Analogs

2794100
2794100
2793674
2793674

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-2-[[4-(3-methoxypropyl)-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]thio]acetamid N-isobutyl-2-[[4-(3-methoxypropy…

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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) 1.23 -0.62 -14.87 1 8 0 86 380.518 11 ↓

Analogs

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Popular Name: 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine 1-[(4,5-dimethyl-1,2,4-triazol-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) -0.89 2.9 -17.4 2 6 0 75 192.226 2 ↓

Analogs

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Popular Name: 1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine 1-[(4-ethyl-5-methyl-1,2,4-triaz…

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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) -0.52 3.76 -12.69 2 6 0 75 206.253 3 ↓

Analogs

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Popular Name: 1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine 1-[(5-methyl-4-propyl-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) -0.01 4.52 -12.16 2 6 0 75 220.28 4 ↓

Analogs

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Popular Name: 1-[(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine 1-[(4-isopropyl-5-methyl-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) -0.15 3.98 -16.25 2 6 0 75 220.28 3 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 116615 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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