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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

52273356
52273356
52273358
52273358
52273359
52273359
52273362
52273362

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Popular Name: N-(cyclopropylmethyl)-1-(3,5-dimethyl-1H-pyrazol-4-yl)methanamine N-(cyclopropylmethyl)-1-(3,5-dim…

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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) 1.12 4.32 -41.83 3 3 1 45 180.275 4 ↓

Analogs

52273356
52273356
52273358
52273358
52273359
52273359
52273362
52273362

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Popular Name: (1S)-1-cyclopropyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine (1S)-1-cyclopropyl-N-[(3,5-dimet…

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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 4.73 -39.45 3 3 1 45 194.302 4 ↓

Analogs

52273356
52273356
52273358
52273358
52273359
52273359
52273362
52273362

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine (1R)-1-cyclopropyl-N-[(3,5-dimet…

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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 4.73 -39.49 3 3 1 45 194.302 4 ↓

Analogs

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Popular Name: 4-[[cyclopropylmethyl(ethyl)amino]methyl]-2,5-dimethyl-pyrazol-3-amine 4-[[cyclopropylmethyl(ethyl)amin…

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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) 1.19 6.43 -89.19 4 4 2 50 224.352 5 ↓
Hi High (pH 8-9.5) 1.19 4.02 -6.23 2 4 0 47 222.336 5 ↓
Mid Mid (pH 6-8) 1.19 6.3 -35.44 3 4 1 48 223.344 5 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-[(5-hydrazino-1,3-dimethyl-pyrazol-4-yl)methyl]ethanamine N-(cyclopropylmethyl)-N-[(5-hydr…

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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) 0.95 6.01 -35.87 4 5 1 60 238.359 6 ↓
Hi High (pH 8-9.5) 0.95 3.64 -5.9 3 5 0 59 237.351 6 ↓
Mid Mid (pH 6-8) 0.95 6.14 -89.14 5 5 2 62 239.367 6 ↓

Analogs

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Popular Name: (1R,2S)-N1-(cyclopropylmethyl)-N1-ethyl-1-(1-methylpyrazol-4-yl)butane-1,2-diamine (1R,2S)-N1-(cyclopropylmethyl)-N…

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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) 1.29 3.89 -45.23 3 4 1 49 251.398 7 ↓
Hi High (pH 8-9.5) 1.29 3.55 -4.25 2 4 0 47 250.39 7 ↓
Mid Mid (pH 6-8) 1.29 5.6 -33.43 3 4 1 48 251.398 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N1-(cyclopropylmethyl)-N1-ethyl-1-(1-methylpyrazol-4-yl)butane-1,2-diamine (1R,2R)-N1-(cyclopropylmethyl)-N…

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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) 1.29 3.79 -43.7 3 4 1 49 251.398 7 ↓
Hi High (pH 8-9.5) 1.29 3.47 -4.2 2 4 0 47 250.39 7 ↓
Mid Mid (pH 6-8) 1.29 5.93 -113.06 4 4 2 50 252.406 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N1-(cyclopropylmethyl)-N1-ethyl-1-(1-methylpyrazol-4-yl)butane-1,2-diamine (1S,2S)-N1-(cyclopropylmethyl)-N…

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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) 1.29 4.26 -43.52 3 4 1 49 251.398 7 ↓
Hi High (pH 8-9.5) 1.29 4.08 -4.07 2 4 0 47 250.39 7 ↓
Mid Mid (pH 6-8) 1.29 5.92 -111.96 4 4 2 50 252.406 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N1-(cyclopropylmethyl)-N1-ethyl-1-(1-methylpyrazol-4-yl)butane-1,2-diamine (1S,2R)-N1-(cyclopropylmethyl)-N…

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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) 1.29 4.36 -43.44 3 4 1 49 251.398 7 ↓
Hi High (pH 8-9.5) 1.29 4.06 -4.28 2 4 0 47 250.39 7 ↓
Mid Mid (pH 6-8) 1.29 5.6 -33.39 3 4 1 48 251.398 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N1-(cyclopropylmethyl)-N1-ethyl-1-(1-methylpyrazol-4-yl)propane-1,2-diamine (1S,2R)-N1-(cyclopropylmethyl)-N…

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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 3.64 -43.62 3 4 1 49 237.371 6 ↓
Hi High (pH 8-9.5) 0.75 3.32 -4.48 2 4 0 47 236.363 6 ↓
Mid Mid (pH 6-8) 0.75 5.09 -110.04 4 4 2 50 238.379 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N1-(cyclopropylmethyl)-N1-ethyl-1-(1-methylpyrazol-4-yl)propane-1,2-diamine (1R,2R)-N1-(cyclopropylmethyl)-N…

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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 3.98 -38.06 3 4 1 49 237.371 6 ↓
Hi High (pH 8-9.5) 0.75 2.77 -4.43 2 4 0 47 236.363 6 ↓
Mid Mid (pH 6-8) 0.75 4.79 -33.61 3 4 1 48 237.371 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[cyclopropylmethyl(ethyl)amino]methyl]-N-ethyl-2,5-dimethyl-pyrazol-3-amine 4-[[cyclopropylmethyl(ethyl)amin…

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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) 1.94 7.72 -34.45 2 4 1 34 251.398 7 ↓
Mid Mid (pH 6-8) 1.94 5.62 -5.88 1 4 0 33 250.39 7 ↓
Mid Mid (pH 6-8) 1.94 7.85 -87.87 3 4 2 36 252.406 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[cyclopropylmethyl(ethyl)amino]methyl]-2,5-dimethyl-N-propyl-pyrazol-3-amine 4-[[cyclopropylmethyl(ethyl)amin…

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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) 2.45 8.48 -34.54 2 4 1 34 265.425 8 ↓
Mid Mid (pH 6-8) 2.45 6.37 -5.54 1 4 0 33 264.417 8 ↓
Mid Mid (pH 6-8) 2.45 8.61 -88.8 3 4 2 36 266.433 8 ↓

Analogs

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Popular Name: 4-[[cyclopropylmethyl(ethyl)amino]methyl]-N,2,5-trimethyl-pyrazol-3-amine 4-[[cyclopropylmethyl(ethyl)amin…

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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) 1.57 7.04 -87.83 3 4 2 36 238.379 6 ↓
Hi High (pH 8-9.5) 1.57 4.67 -6.22 1 4 0 33 236.363 6 ↓
Hi High (pH 8-9.5) 1.57 6.9 -35.02 2 4 1 34 237.371 6 ↓

Analogs

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Popular Name: methyl 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) 1.46 6.14 -9.83 1 5 0 56 263.341 8 ↓
Mid Mid (pH 6-8) 1.46 7.25 -42.71 2 5 1 61 264.349 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-N-(cyclopropylmethyl)-2-methoxy-ethanamine N-[(1-allyl-3-methyl-pyrazol-4-y…

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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) 1.84 8.24 -36.97 1 4 1 31 264.393 9 ↓
Mid Mid (pH 6-8) 1.84 6.05 -6.7 0 4 0 30 263.385 9 ↓

Analogs

52274751
52274751
52274753
52274753
52274757
52274757

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Popular Name: 1-(1-tert-butylpyrazol-4-yl)-N-(cyclopropylmethyl)methanamine 1-(1-tert-butylpyrazol-4-yl)-N-(…

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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) 1.93 6.63 -40.75 2 3 1 34 208.329 5 ↓

Analogs

52274797
52274797
52274799
52274799
52274801
52274801
52274803
52274803

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-1-(3-isopropyl-1-methyl-pyrazol-4-yl)methanamine N-(cyclopropylmethyl)-1-(3-isopr…

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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) 2.02 6.46 -42.81 2 3 1 34 208.329 5 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol (2S)-2-(cyclopropylmethylamino)-…

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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 1.97 -39.76 3 4 1 55 196.274 5 ↓
Hi High (pH 8-9.5) 0.30 0.82 -7.35 2 4 0 50 195.266 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol (2R)-2-(cyclopropylmethylamino)-…

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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 1.96 -39.59 3 4 1 55 196.274 5 ↓
Hi High (pH 8-9.5) 0.30 0.69 -7.21 2 4 0 50 195.266 5 ↓

Parameters Provided:

ring.id = 113680
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 = 113680 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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