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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: 1-[1-(1-ethylpropyl)pyrazol-3-yl]-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]methanamine 1-[1-(1-ethylpropyl)pyrazol-3-yl…

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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) 2.84 7.35 -35.07 2 4 1 34 279.452 8 ↓
Mid Mid (pH 6-8) 2.84 6.59 -38.98 2 4 1 38 279.452 8 ↓
Mid Mid (pH 6-8) 2.84 8.97 -97.96 3 4 2 39 280.46 8 ↓

Analogs

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Popular Name: 1-[1-(1-ethylpropyl)pyrazol-3-yl]-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]methanamine 1-[1-(1-ethylpropyl)pyrazol-3-yl…

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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) 2.84 7.43 -34.6 2 4 1 34 279.452 8 ↓
Mid Mid (pH 6-8) 2.84 6.54 -39.04 2 4 1 38 279.452 8 ↓
Mid Mid (pH 6-8) 2.84 9.02 -97.95 3 4 2 39 280.46 8 ↓

Analogs

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Popular Name: N-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]-1-[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methanamine N-[[(3S)-1-isopropylpyrrolidin-3…

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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 7.15 -34.15 2 4 1 34 279.452 7 ↓
Mid Mid (pH 6-8) 2.63 6.16 -39.56 2 4 1 38 279.452 7 ↓
Mid Mid (pH 6-8) 2.63 8.52 -98.15 3 4 2 39 280.46 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]-1-[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methanamine N-[[(3S)-1-isopropylpyrrolidin-3…

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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 7.13 -34.28 2 4 1 34 279.452 7 ↓
Mid Mid (pH 6-8) 2.63 6.14 -39.62 2 4 1 38 279.452 7 ↓
Mid Mid (pH 6-8) 2.63 8.5 -98.25 3 4 2 39 280.46 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]-1-[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methanamine N-[[(3R)-1-isopropylpyrrolidin-3…

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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 7.22 -33.56 2 4 1 34 279.452 7 ↓
Mid Mid (pH 6-8) 2.63 6.17 -39.47 2 4 1 38 279.452 7 ↓
Mid Mid (pH 6-8) 2.63 8.55 -98.1 3 4 2 39 280.46 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]-1-[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methanamine N-[[(3R)-1-isopropylpyrrolidin-3…

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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 7.2 -33.73 2 4 1 34 279.452 7 ↓
Mid Mid (pH 6-8) 2.63 6.15 -39.6 2 4 1 38 279.452 7 ↓
Mid Mid (pH 6-8) 2.63 8.54 -98.22 3 4 2 39 280.46 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-(1-ethylpropyl)pyrazol-3-yl]-N-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]methanamine 1-[1-(1-ethylpropyl)pyrazol-3-yl…

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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) 3.13 7.86 -33.85 2 4 1 34 293.479 8 ↓
Mid Mid (pH 6-8) 3.13 6.87 -39.23 2 4 1 38 293.479 8 ↓
Mid Mid (pH 6-8) 3.13 9.48 -97.75 3 4 2 39 294.487 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-(1-ethylpropyl)pyrazol-3-yl]-N-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]methanamine 1-[1-(1-ethylpropyl)pyrazol-3-yl…

Find On: PubMed — Wikipedia — Google

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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) 3.13 7.86 -33.12 2 4 1 34 293.479 8 ↓
Mid Mid (pH 6-8) 3.13 6.88 -39.15 2 4 1 38 293.479 8 ↓
Mid Mid (pH 6-8) 3.13 9.45 -97.62 3 4 2 39 294.487 8 ↓

Parameters Provided:

ring.id = 446873
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 = 446873 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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