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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: 5-[cyclopropylmethyl(ethyl)amino]-N'-hydroxy-1,3-dimethyl-pyrazole-4-carboxamidine 5-[cyclopropylmethyl(ethyl)amino…

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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) 0.32 4.24 -6.89 3 6 0 80 251.334 5 ↓
Lo Low (pH 4.5-6) 0.32 3.89 -28.46 4 6 1 81 252.342 5 ↓
Lo Low (pH 4.5-6) 0.32 4.37 -29.88 4 6 1 81 252.342 5 ↓

Analogs

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Popular Name: 5-[cyclopropylmethyl(ethyl)amino]-1,3-dimethyl-pyrazole-4-carboxamidine 5-[cyclopropylmethyl(ethyl)amino…

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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) 0.39 4.92 -30.58 4 5 1 73 236.343 5 ↓

Analogs

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Popular Name: 5-[cyclopropylmethyl(ethyl)amino]-1,3-dimethyl-pyrazole-4-carbonitrile 5-[cyclopropylmethyl(ethyl)amino…

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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) 1.76 7.88 -6.98 0 4 0 45 218.304 4 ↓

Analogs

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Popular Name: 5-[cyclopropylmethyl(ethyl)amino]-1,3-dimethyl-pyrazole-4-carboxylic 5-[cyclopropylmethyl(ethyl)amino…

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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) 1.58 8.36 -52.18 0 5 -1 61 236.295 5 ↓
Mid Mid (pH 6-8) 1.58 8.49 -39.55 1 5 0 62 237.303 5 ↓

Analogs

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Popular Name: 5-[cyclopropylmethyl(ethyl)amino]-1,3-dimethyl-pyrazole-4-carbothioamide 5-[cyclopropylmethyl(ethyl)amino…

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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) 1.81 7.45 -11.6 2 4 0 47 252.387 5 ↓
Lo Low (pH 4.5-6) 1.81 7.57 -33.6 3 4 1 48 253.395 5 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-ethyl-2,5-dimethyl-4-(methylaminomethyl)pyrazol-3-amine N-(cyclopropylmethyl)-N-ethyl-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) 1.57 7.38 -39.23 2 4 1 38 237.371 6 ↓
Hi High (pH 8-9.5) 1.57 5.93 -4.63 1 4 0 33 236.363 6 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-ethyl-2,5-dimethyl-4-(propylaminomethyl)pyrazol-3-amine N-(cyclopropylmethyl)-N-ethyl-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) 2.45 9.25 -37.76 2 4 1 38 265.425 8 ↓
Hi High (pH 8-9.5) 2.45 8.45 -3.66 1 4 0 33 264.417 8 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-ethyl-4-[(2-methoxyethylamino)methyl]-2,5-dimethyl-pyrazol-3-amine N-(cyclopropylmethyl)-N-ethyl-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) 1.55 7.38 -38.03 2 5 1 47 281.424 9 ↓
Hi High (pH 8-9.5) 1.55 5.95 -6.06 1 5 0 42 280.416 9 ↓

Analogs

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

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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) 2.75 9.19 -34.6 2 4 1 38 279.452 7 ↓
Hi High (pH 8-9.5) 2.75 7.96 -4.13 1 4 0 33 278.444 7 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-ethyl-4-[(isobutylamino)methyl]-2,5-dimethyl-pyrazol-3-amine N-(cyclopropylmethyl)-N-ethyl-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) 2.69 9.69 -38.44 2 4 1 38 279.452 8 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-ethyl-4-(ethylaminomethyl)-2,5-dimethyl-pyrazol-3-amine N-(cyclopropylmethyl)-N-ethyl-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) 1.94 8.5 -37.14 2 4 1 38 251.398 7 ↓
Hi High (pH 8-9.5) 1.94 7.68 -3.72 1 4 0 33 250.39 7 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-ethyl-4-[(isopropylamino)methyl]-2,5-dimethyl-pyrazol-3-amine N-(cyclopropylmethyl)-N-ethyl-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) 2.24 8.8 -36.38 2 4 1 38 265.425 7 ↓
Hi High (pH 8-9.5) 2.24 7.54 -4.25 1 4 0 33 264.417 7 ↓

Analogs

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

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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) 1.80 7.95 -59.02 1 5 0 62 263.341 6 ↓
Mid Mid (pH 6-8) 1.80 7.83 -55.52 0 5 -1 61 262.333 6 ↓

Analogs

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Popular Name: 4-[(2R)-2-aminopropyl]-N-(cyclopropylmethyl)-N-ethyl-2,5-dimethyl-pyrazol-3-amine 4-[(2R)-2-aminopropyl]-N-(cyclop…

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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) 1.39 6.96 -40.58 3 4 1 49 251.398 6 ↓
Lo Low (pH 4.5-6) 1.39 7.1 -91.59 4 4 2 50 252.406 6 ↓

Analogs

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Popular Name: 4-[(2S)-2-aminopropyl]-N-(cyclopropylmethyl)-N-ethyl-2,5-dimethyl-pyrazol-3-amine 4-[(2S)-2-aminopropyl]-N-(cyclop…

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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) 1.39 6.87 -41.01 3 4 1 49 251.398 6 ↓
Lo Low (pH 4.5-6) 1.39 7 -95.71 4 4 2 50 252.406 6 ↓

Analogs

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Popular Name: 4-(2-aminoethyl)-N-(cyclopropylmethyl)-N-ethyl-2,5-dimethyl-pyrazol-3-amine 4-(2-aminoethyl)-N-(cyclopropylm…

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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) 0.99 6.15 -48.2 3 4 1 49 237.371 6 ↓
Lo Low (pH 4.5-6) 0.99 6.29 -93.3 4 4 2 50 238.379 6 ↓

Analogs

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Popular Name: 4-[(2S)-2-aminobutyl]-N-(cyclopropylmethyl)-N-ethyl-2,5-dimethyl-pyrazol-3-amine 4-[(2S)-2-aminobutyl]-N-(cyclopr…

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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 7.81 -40.2 3 4 1 49 265.425 7 ↓
Lo Low (pH 4.5-6) 1.93 7.94 -95.58 4 4 2 50 266.433 7 ↓

Analogs

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Popular Name: 4-[(2R)-2-aminobutyl]-N-(cyclopropylmethyl)-N-ethyl-2,5-dimethyl-pyrazol-3-amine 4-[(2R)-2-aminobutyl]-N-(cyclopr…

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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 7.68 -38.89 3 4 1 49 265.425 7 ↓
Lo Low (pH 4.5-6) 1.93 7.81 -89.31 4 4 2 50 266.433 7 ↓

Parameters Provided:

ring.id = 325260
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 = 325260 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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