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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

Draw Identity 99% 90% 80% 70%

Popular Name: cyclopropyl-[4-[[(1R)-1-(3-methyl-2-thienyl)ethyl]amino]-1-piperidyl]methanone cyclopropyl-[4-[[(1R)-1-(3-methy…

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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) 2.94 8.17 -45.45 2 3 1 37 293.456 4 ↓
Hi High (pH 8-9.5) 2.94 7.14 -9.68 1 3 0 32 292.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: cyclopropyl-[4-[[(1S)-1-(3-methyl-2-thienyl)ethyl]amino]-1-piperidyl]methanone cyclopropyl-[4-[[(1S)-1-(3-methy…

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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) 2.94 8.18 -44.48 2 3 1 37 293.456 4 ↓
Hi High (pH 8-9.5) 2.94 7.18 -7.91 1 3 0 32 292.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: cyclopropyl-[4-[[(1R)-1-(5-ethyl-2-thienyl)ethyl]amino]-1-piperidyl]methanone cyclopropyl-[4-[[(1R)-1-(5-ethyl…

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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 9.25 -45.58 2 3 1 37 307.483 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: cyclopropyl-[4-[[(1S)-1-(5-ethyl-2-thienyl)ethyl]amino]-1-piperidyl]methanone cyclopropyl-[4-[[(1S)-1-(5-ethyl…

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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 9.29 -44.67 2 3 1 37 307.483 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: cyclopropyl-[4-[[(1S)-2-methyl-1-(2-thienyl)propyl]amino]-1-piperidyl]methanone cyclopropyl-[4-[[(1S)-2-methyl-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.31 8.83 -44.74 2 3 1 37 307.483 5 ↓
Hi High (pH 8-9.5) 3.31 8.24 -7.54 1 3 0 32 306.475 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: cyclopropyl-[4-[[(1R)-2-methyl-1-(2-thienyl)propyl]amino]-1-piperidyl]methanone cyclopropyl-[4-[[(1R)-2-methyl-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.31 8.78 -45.33 2 3 1 37 307.483 5 ↓
Hi High (pH 8-9.5) 3.31 7.69 -9.29 1 3 0 32 306.475 5 ↓

Analogs

38003227
38003227
38003228
38003228

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(1S)-1-(3-bromo-2-thienyl)ethyl]amino]-1-piperidyl]-cyclopropyl-methanone [4-[[(1S)-1-(3-bromo-2-thienyl)e…

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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) 3.30 8.19 -45.36 2 3 1 37 358.325 4 ↓
Hi High (pH 8-9.5) 3.30 7.16 -8.43 1 3 0 32 357.317 4 ↓

Analogs

38003227
38003227
38003228
38003228

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(1R)-1-(3-bromo-2-thienyl)ethyl]amino]-1-piperidyl]-cyclopropyl-methanone [4-[[(1R)-1-(3-bromo-2-thienyl)e…

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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) 3.30 8.14 -46.28 2 3 1 37 358.325 4 ↓
Hi High (pH 8-9.5) 3.30 7.12 -9.99 1 3 0 32 357.317 4 ↓

Parameters Provided:

ring.id = 520469
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 = 520469 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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