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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: (1S)-1-(2,5-dimethyl-3-thienyl)-2-[1-(1-ethylpropyl)pyrazol-3-yl]ethanol (1S)-1-(2,5-dimethyl-3-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) 3.39 7.74 -7.73 1 3 0 38 292.448 6 ↓

Analogs

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Popular Name: (1R)-1-(2,5-dimethyl-3-thienyl)-2-[1-(1-ethylpropyl)pyrazol-3-yl]ethanol (1R)-1-(2,5-dimethyl-3-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) 3.39 7.92 -7.53 1 3 0 38 292.448 6 ↓

Analogs

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Popular Name: (1S)-N-ethyl-2-[1-(1-ethylpropyl)pyrazol-3-yl]-1-(3-thienyl)ethanamine (1S)-N-ethyl-2-[1-(1-ethylpropyl…

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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) 3.88 9.14 -32.99 2 3 1 34 292.472 8 ↓
Hi High (pH 8-9.5) 3.88 7.86 -5.81 1 3 0 30 291.464 8 ↓

Analogs

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Popular Name: (1R)-N-ethyl-2-[1-(1-ethylpropyl)pyrazol-3-yl]-1-(3-thienyl)ethanamine (1R)-N-ethyl-2-[1-(1-ethylpropyl…

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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) 3.88 9.6 -29.41 2 3 1 34 292.472 8 ↓
Hi High (pH 8-9.5) 3.88 8.3 -4.58 1 3 0 30 291.464 8 ↓

Analogs

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Popular Name: N-[(1S)-2-[1-[(1S)-1-methylpropyl]pyrazol-3-yl]-1-(3-thienyl)ethyl]propan-1-amine N-[(1S)-2-[1-[(1S)-1-methylpropy…

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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) 3.88 8.94 -34.1 2 3 1 34 292.472 8 ↓
Hi High (pH 8-9.5) 3.88 7.87 -5.11 1 3 0 30 291.464 8 ↓

Analogs

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Popular Name: N-[(1R)-2-[1-[(1S)-1-methylpropyl]pyrazol-3-yl]-1-(3-thienyl)ethyl]propan-1-amine N-[(1R)-2-[1-[(1S)-1-methylpropy…

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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) 3.88 9.39 -30.05 2 3 1 34 292.472 8 ↓
Hi High (pH 8-9.5) 3.88 8.29 -5.26 1 3 0 30 291.464 8 ↓

Analogs

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Popular Name: N-[(1S)-2-[1-[(1R)-1-methylpropyl]pyrazol-3-yl]-1-(3-thienyl)ethyl]propan-1-amine N-[(1S)-2-[1-[(1R)-1-methylpropy…

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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) 3.88 8.94 -33.92 2 3 1 34 292.472 8 ↓
Hi High (pH 8-9.5) 3.88 7.87 -5.12 1 3 0 30 291.464 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-[1-[(1R)-1-methylpropyl]pyrazol-3-yl]-1-(3-thienyl)ethyl]propan-1-amine N-[(1R)-2-[1-[(1R)-1-methylpropy…

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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) 3.88 9.39 -29.88 2 3 1 34 292.472 8 ↓
Hi High (pH 8-9.5) 3.88 8.29 -5.3 1 3 0 30 291.464 8 ↓

Analogs

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Popular Name: N-[(1S)-2-[1-(1-ethylpropyl)pyrazol-3-yl]-1-(3-thienyl)ethyl]propan-1-amine N-[(1S)-2-[1-(1-ethylpropyl)pyra…

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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) 4.38 9.89 -33.58 2 3 1 34 306.499 9 ↓
Hi High (pH 8-9.5) 4.38 8.82 -4.68 1 3 0 30 305.491 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-[1-(1-ethylpropyl)pyrazol-3-yl]-1-(3-thienyl)ethyl]propan-1-amine N-[(1R)-2-[1-(1-ethylpropyl)pyra…

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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) 4.38 10.35 -29.76 2 3 1 34 306.499 9 ↓
Hi High (pH 8-9.5) 4.38 9.24 -4.72 1 3 0 30 305.491 9 ↓

Parameters Provided:

ring.id = 516332
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 = 516332 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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