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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: N3-[(1R,2S,4S)-2,4-dimethylcyclohexyl]-2,5-dimethyl-pyrazole-3,4-diamine N3-[(1R,2S,4S)-2,4-dimethylcyclo…

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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) 2.15 5.56 -4.42 3 4 0 56 236.363 2 ↓
Mid Mid (pH 6-8) 2.15 5.68 -24.61 4 4 1 57 237.371 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N3-[(1S,2S,4S)-2,4-dimethylcyclohexyl]-2,5-dimethyl-pyrazole-3,4-diamine N3-[(1S,2S,4S)-2,4-dimethylcyclo…

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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) 2.15 4.97 -5.5 3 4 0 56 236.363 2 ↓
Mid Mid (pH 6-8) 2.15 5.09 -24.47 4 4 1 57 237.371 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N3-[(1R,2S,4R)-2,4-dimethylcyclohexyl]-2,5-dimethyl-pyrazole-3,4-diamine N3-[(1R,2S,4R)-2,4-dimethylcyclo…

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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) 2.15 4.97 -4.77 3 4 0 56 236.363 2 ↓
Mid Mid (pH 6-8) 2.15 5.09 -24.53 4 4 1 57 237.371 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N3-[(1S,2S,4R)-2,4-dimethylcyclohexyl]-2,5-dimethyl-pyrazole-3,4-diamine N3-[(1S,2S,4R)-2,4-dimethylcyclo…

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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) 2.15 4.74 -5.46 3 4 0 56 236.363 2 ↓
Mid Mid (pH 6-8) 2.15 4.87 -24.46 4 4 1 57 237.371 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S,4S)-2,4-dimethylcyclohexyl]-2,5-dimethyl-4-nitro-pyrazol-3-amine N-[(1R,2S,4S)-2,4-dimethylcycloh…

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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) 2.63 8.53 -7.19 1 6 0 76 266.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S,4S)-2,4-dimethylcyclohexyl]-2,5-dimethyl-4-nitro-pyrazol-3-amine N-[(1S,2S,4S)-2,4-dimethylcycloh…

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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) 2.63 7.78 -6.5 1 6 0 76 266.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S,4R)-2,4-dimethylcyclohexyl]-2,5-dimethyl-4-nitro-pyrazol-3-amine N-[(1R,2S,4R)-2,4-dimethylcycloh…

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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) 2.63 7.93 -7.75 1 6 0 76 266.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S,4R)-2,4-dimethylcyclohexyl]-2,5-dimethyl-4-nitro-pyrazol-3-amine N-[(1S,2S,4R)-2,4-dimethylcycloh…

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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) 2.63 7.56 -6.59 1 6 0 76 266.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R,2S,4S)-2,4-dimethylcyclohexyl]amino]-1,3-dimethyl-pyrazole-4-carbothioamide 5-[[(1R,2S,4S)-2,4-dimethylcyclo…

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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) 2.47 6.93 -12.41 3 4 0 56 280.441 3 ↓
Lo Low (pH 4.5-6) 2.47 7.06 -36.06 4 4 1 57 281.449 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S,2S,4S)-2,4-dimethylcyclohexyl]amino]-1,3-dimethyl-pyrazole-4-carbothioamide 5-[[(1S,2S,4S)-2,4-dimethylcyclo…

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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) 2.47 6.52 -11.15 3 4 0 56 280.441 3 ↓
Lo Low (pH 4.5-6) 2.47 6.64 -39.39 4 4 1 57 281.449 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R,2S,4R)-2,4-dimethylcyclohexyl]amino]-1,3-dimethyl-pyrazole-4-carbothioamide 5-[[(1R,2S,4R)-2,4-dimethylcyclo…

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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) 2.47 6.32 -12.32 3 4 0 56 280.441 3 ↓
Lo Low (pH 4.5-6) 2.47 6.44 -36.23 4 4 1 57 281.449 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S,2S,4R)-2,4-dimethylcyclohexyl]amino]-1,3-dimethyl-pyrazole-4-carbothioamide 5-[[(1S,2S,4R)-2,4-dimethylcyclo…

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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) 2.47 6.28 -11.27 3 4 0 56 280.441 3 ↓
Lo Low (pH 4.5-6) 2.47 6.41 -39.38 4 4 1 57 281.449 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R,2S,4S)-2,4-dimethylcyclohexyl]amino]-1,3-dimethyl-pyrazole-4-carboxylic 5-[[(1R,2S,4S)-2,4-dimethylcyclo…

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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 8.15 -50.95 1 5 -1 70 264.349 3 ↓
Mid Mid (pH 6-8) 2.24 8.27 -38.39 2 5 0 71 265.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S,2S,4S)-2,4-dimethylcyclohexyl]amino]-1,3-dimethyl-pyrazole-4-carboxylic 5-[[(1S,2S,4S)-2,4-dimethylcyclo…

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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 7.68 -50.97 1 5 -1 70 264.349 3 ↓
Mid Mid (pH 6-8) 2.24 7.8 -38.02 2 5 0 71 265.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R,2S,4R)-2,4-dimethylcyclohexyl]amino]-1,3-dimethyl-pyrazole-4-carboxylic 5-[[(1R,2S,4R)-2,4-dimethylcyclo…

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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 7.84 -51.71 1 5 -1 70 264.349 3 ↓
Mid Mid (pH 6-8) 2.24 7.96 -39.36 2 5 0 71 265.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S,2S,4R)-2,4-dimethylcyclohexyl]amino]-1,3-dimethyl-pyrazole-4-carboxylic 5-[[(1S,2S,4R)-2,4-dimethylcyclo…

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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 7.45 -51.34 1 5 -1 70 264.349 3 ↓
Mid Mid (pH 6-8) 2.24 7.58 -38.17 2 5 0 71 265.357 3 ↓

Analogs

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Popular Name: 1,3-dimethyl-5-[methyl-(4-methylcyclohexyl)amino]pyrazole-4-carboxylic 1,3-dimethyl-5-[methyl-(4-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) 2.01 7.88 -35.93 1 5 0 62 265.357 3 ↓
Hi High (pH 8-9.5) 2.01 7.74 -48.52 0 5 -1 61 264.349 3 ↓

Analogs

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Popular Name: N,2,5-trimethyl-4-(methylaminomethyl)-N-(4-methylcyclohexyl)pyrazol-3-amine N,2,5-trimethyl-4-(methylaminome…

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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) 2.00 7.29 -38.34 2 4 1 38 265.425 4 ↓
Hi High (pH 8-9.5) 2.00 6.33 -24.78 2 4 1 34 265.425 4 ↓
Mid Mid (pH 6-8) 2.00 7.43 -91.72 3 4 2 39 266.433 4 ↓

Analogs

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Popular Name: 4-(ethylaminomethyl)-N,2,5-trimethyl-N-(4-methylcyclohexyl)pyrazol-3-amine 4-(ethylaminomethyl)-N,2,5-trime…

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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) 2.37 8.32 -37.97 2 4 1 38 279.452 5 ↓
Hi High (pH 8-9.5) 2.37 7.13 -24.71 2 4 1 34 279.452 5 ↓
Mid Mid (pH 6-8) 2.37 8.46 -93.35 3 4 2 39 280.46 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,2,5-trimethyl-N-(4-methylcyclohexyl)-4-(propylaminomethyl)pyrazol-3-amine N,2,5-trimethyl-N-(4-methylcyclo…

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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) 2.88 9.08 -38.61 2 4 1 38 293.479 6 ↓
Hi High (pH 8-9.5) 2.88 7.76 -3.82 1 4 0 33 292.471 6 ↓
Mid Mid (pH 6-8) 2.88 9.21 -95.2 3 4 2 39 294.487 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(isopropylamino)methyl]-N,2,5-trimethyl-N-(4-methylcyclohexyl)pyrazol-3-amine 4-[(isopropylamino)methyl]-N,2,5…

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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) 2.67 8.68 -35.2 2 4 1 38 293.479 5 ↓
Hi High (pH 8-9.5) 2.67 7.62 -24.94 2 4 1 34 293.479 5 ↓
Mid Mid (pH 6-8) 2.67 8.76 -90.1 3 4 2 39 294.487 5 ↓

Analogs

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Popular Name: (E)-3-[1,3-dimethyl-5-[methyl-(4-methylcyclohexyl)amino]pyrazol-4-yl]prop-2-enoic (E)-3-[1,3-dimethyl-5-[methyl-(4…

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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) 2.23 7.62 -58.97 1 5 0 62 291.395 4 ↓
Hi High (pH 8-9.5) 2.23 7.5 -56.93 0 5 -1 61 290.387 4 ↓

Analogs

42577972
42577972

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Popular Name: 2,5-dimethyl-N3-(4-propylcyclohexyl)pyrazole-3,4-diamine 2,5-dimethyl-N3-(4-propylcyclohe…

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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) 2.92 6.09 -4.95 3 4 0 56 250.39 4 ↓
Mid Mid (pH 6-8) 2.92 6.21 -24.79 4 4 1 57 251.398 4 ↓

Analogs

36748931
36748931
36748934
36748934
36328040
36328040
36826308
36826308
36826310
36826310

Draw Identity 99% 90% 80% 70%

Popular Name: N3,2,5-trimethyl-N3-(4-methylcyclohexyl)pyrazole-3,4-diamine N3,2,5-trimethyl-N3-(4-methylcyc…

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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) 1.92 5.5 -24.47 3 4 1 48 237.371 2 ↓
Hi High (pH 8-9.5) 1.92 5.37 -4.89 2 4 0 47 236.363 2 ↓

Parameters Provided:

ring.id = 524180
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 524180 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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