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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: 3-[(1R)-1-ethylpentyl]-4-(2-thienyl)-1H-pyrazol-5-amine 3-[(1R)-1-ethylpentyl]-4-(2-thie…

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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) 4.46 7.35 -5.38 3 3 0 55 263.41 6 ↓
Mid Mid (pH 6-8) 4.46 7.48 -29.13 4 3 1 56 264.418 6 ↓

Analogs

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Popular Name: 3-[(1S)-1-ethylpentyl]-4-(2-thienyl)-1H-pyrazol-5-amine 3-[(1S)-1-ethylpentyl]-4-(2-thie…

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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) 4.46 7.34 -5.24 3 3 0 55 263.41 6 ↓
Mid Mid (pH 6-8) 4.46 7.47 -28.93 4 3 1 56 264.418 6 ↓

Analogs

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Popular Name: 3-tert-butyl-4-(2-thienyl)-1H-pyrazol-5-amine 3-tert-butyl-4-(2-thienyl)-1H-py…

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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) 3.38 4.66 -5.64 3 3 0 55 221.329 2 ↓
Mid Mid (pH 6-8) 3.38 4.76 -27.76 4 3 1 56 222.337 2 ↓

Analogs

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Popular Name: 5-isopropyl-2-methyl-4-(2-thienyl)pyrazol-3-amine 5-isopropyl-2-methyl-4-(2-thieny…

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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) 2.78 5.93 -26.53 3 3 1 45 222.337 2 ↓
Mid Mid (pH 6-8) 2.78 5.8 -6.91 2 3 0 44 221.329 2 ↓

Analogs

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Popular Name: 5-(2,2-dimethylpropyl)-2-methyl-4-(2-thienyl)pyrazol-3-amine 5-(2,2-dimethylpropyl)-2-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) 3.62 6.82 -27.4 3 3 1 45 250.391 3 ↓
Mid Mid (pH 6-8) 3.62 6.75 -6.1 2 3 0 44 249.383 3 ↓

Analogs

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Popular Name: 5-(1-ethylpropyl)-2-methyl-4-(2-thienyl)pyrazol-3-amine 5-(1-ethylpropyl)-2-methyl-4-(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) 3.47 7.18 -26.88 3 3 1 45 250.391 4 ↓
Mid Mid (pH 6-8) 3.47 7.05 -6.45 2 3 0 44 249.383 4 ↓

Analogs

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Popular Name: 5-butyl-2-methyl-4-(2-thienyl)pyrazol-3-amine 5-butyl-2-methyl-4-(2-thienyl)py…

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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) 3.36 6.8 -6.81 2 3 0 44 235.356 4 ↓
Mid Mid (pH 6-8) 3.36 6.84 -27.73 3 3 1 45 236.364 4 ↓

Analogs

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Popular Name: 2-methyl-5-propyl-4-(2-thienyl)pyrazol-3-amine 2-methyl-5-propyl-4-(2-thienyl)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) 2.80 6.01 -6.91 2 3 0 44 221.329 3 ↓
Lo Low (pH 4.5-6) 2.80 6.06 -27.52 3 3 1 45 222.337 3 ↓

Analogs

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Popular Name: 5-isopentyl-2-methyl-4-(2-thienyl)pyrazol-3-amine 5-isopentyl-2-methyl-4-(2-thieny…

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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) 3.57 7.35 -27.92 3 3 1 45 250.391 4 ↓
Mid Mid (pH 6-8) 3.57 7.3 -6.71 2 3 0 44 249.383 4 ↓

Analogs

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Popular Name: 2-methyl-5-[(1R)-1-methylbutyl]-4-(2-thienyl)pyrazol-3-amine 2-methyl-5-[(1R)-1-methylbutyl]-…

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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) 3.68 7.34 -27.01 3 3 1 45 250.391 4 ↓
Mid Mid (pH 6-8) 3.68 7.21 -6.75 2 3 0 44 249.383 4 ↓

Analogs

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Popular Name: 2-methyl-5-[(1S)-1-methylbutyl]-4-(2-thienyl)pyrazol-3-amine 2-methyl-5-[(1S)-1-methylbutyl]-…

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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) 3.68 7.34 -27.01 3 3 1 45 250.391 4 ↓
Mid Mid (pH 6-8) 3.68 7.21 -6.75 2 3 0 44 249.383 4 ↓

Analogs

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Popular Name: 2,5-dimethyl-4-(2-thienyl)pyrazol-3-amine 2,5-dimethyl-4-(2-thienyl)pyrazo…

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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) 1.72 4.62 -27.68 3 3 1 45 194.283 1 ↓
Mid Mid (pH 6-8) 1.72 4.5 -6.98 2 3 0 44 193.275 1 ↓

Analogs

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Popular Name: 5-ethyl-2-methyl-4-(2-thienyl)pyrazol-3-amine 5-ethyl-2-methyl-4-(2-thienyl)py…

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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) 2.29 5.28 -27.31 3 3 1 45 208.31 2 ↓
Mid Mid (pH 6-8) 2.29 5.24 -7.01 2 3 0 44 207.302 2 ↓

Analogs

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Popular Name: 5-isobutyl-2-methyl-4-(2-thienyl)pyrazol-3-amine 5-isobutyl-2-methyl-4-(2-thienyl…

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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) 3.04 6.61 -27.33 3 3 1 45 236.364 3 ↓
Mid Mid (pH 6-8) 3.04 6.31 -6.46 2 3 0 44 235.356 3 ↓

Analogs

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Popular Name: 2-methyl-5-[(1R)-1-methylpropyl]-4-(2-thienyl)pyrazol-3-amine 2-methyl-5-[(1R)-1-methylpropyl]…

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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) 3.12 6.57 -26.77 3 3 1 45 236.364 3 ↓
Mid Mid (pH 6-8) 3.12 6.45 -6.82 2 3 0 44 235.356 3 ↓

Analogs

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Popular Name: 2-methyl-5-[(1S)-1-methylpropyl]-4-(2-thienyl)pyrazol-3-amine 2-methyl-5-[(1S)-1-methylpropyl]…

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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) 3.12 6.57 -26.82 3 3 1 45 236.364 3 ↓
Mid Mid (pH 6-8) 3.12 6.45 -6.83 2 3 0 44 235.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-ethylpentyl]-2-methyl-4-(2-thienyl)pyrazol-3-amine 5-[(1R)-1-ethylpentyl]-2-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) 4.53 8.73 -27.28 3 3 1 45 278.445 6 ↓
Mid Mid (pH 6-8) 4.53 8.6 -6.45 2 3 0 44 277.437 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1-ethylpentyl]-2-methyl-4-(2-thienyl)pyrazol-3-amine 5-[(1S)-1-ethylpentyl]-2-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) 4.53 8.72 -27.06 3 3 1 45 278.445 6 ↓
Mid Mid (pH 6-8) 4.53 8.59 -6.27 2 3 0 44 277.437 6 ↓

Analogs

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Popular Name: 5-(2-methoxyethyl)-2-methyl-4-(2-thienyl)pyrazol-3-amine 5-(2-methoxyethyl)-2-methyl-4-(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) 1.90 4.45 -29.18 3 4 1 54 238.336 4 ↓
Mid Mid (pH 6-8) 1.90 4.31 -7.86 2 4 0 53 237.328 4 ↓

Analogs

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Popular Name: 5-(2-ethoxyethyl)-2-methyl-4-(2-thienyl)pyrazol-3-amine 5-(2-ethoxyethyl)-2-methyl-4-(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) 2.28 5.32 -29.08 3 4 1 54 252.363 5 ↓
Mid Mid (pH 6-8) 2.28 5.27 -7.82 2 4 0 53 251.355 5 ↓

Analogs

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Popular Name: 5-tert-butyl-2-methyl-4-(2-thienyl)pyrazol-3-amine 5-tert-butyl-2-methyl-4-(2-thien…

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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) 3.45 6.01 -26.09 3 3 1 45 236.364 2 ↓
Mid Mid (pH 6-8) 3.45 5.93 -6.7 2 3 0 44 235.356 2 ↓

Analogs

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Popular Name: LS-127866 LS-127866

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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) 1.50 3.95 -6.62 2 3 0 44 179.248 1 ↓
Mid Mid (pH 6-8) 1.50 4.12 -30.94 3 3 1 45 180.256 1 ↓

Parameters Provided:

ring.id = 33136
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 = 33136 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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