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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: N-[bis(2-thienyl)methyl]-2-(4-methyl-1-piperidyl)ethanamine N-[bis(2-thienyl)methyl]-2-(4-me…

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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) 4.25 9.6 -35.46 2 2 1 16 321.535 6 ↓

Analogs

37782637
37782637
37782638
37782638
45692977
45692977
45692980
45692980

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Popular Name: (2S)-N-[bis(2-thienyl)methyl]-1-(1-piperidyl)propan-2-amine (2S)-N-[bis(2-thienyl)methyl]-1-…

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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) 4.34 9.84 -31.82 2 2 1 16 321.535 6 ↓

Analogs

37782637
37782637
37782638
37782638
45692977
45692977
45692980
45692980

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[bis(2-thienyl)methyl]-1-(1-piperidyl)propan-2-amine (2R)-N-[bis(2-thienyl)methyl]-1-…

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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) 4.34 10 -32.52 2 2 1 16 321.535 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[bis(2-thienyl)methyl]-2-(1-piperidyl)ethanamine N-[bis(2-thienyl)methyl]-2-(1-pi…

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) 4.01 8.99 -34.43 2 2 1 16 307.508 6 ↓
Hi High (pH 8-9.5) 4.01 6.8 -3.27 1 2 0 15 306.5 6 ↓
Lo Low (pH 4.5-6) 4.01 10.21 -110.77 3 2 2 21 308.516 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(5-chloro-2-thienyl)-(2-thienyl)methyl]-2-(1-piperidyl)ethanamine N-[(S)-(5-chloro-2-thienyl)-(2-t…

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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) 4.81 9.61 -36.08 2 2 1 16 341.953 6 ↓
Hi High (pH 8-9.5) 4.81 7.4 -3.03 1 2 0 15 340.945 6 ↓
Lo Low (pH 4.5-6) 4.81 10.83 -115.96 3 2 2 21 342.961 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(5-chloro-2-thienyl)-(2-thienyl)methyl]-2-(1-piperidyl)ethanamine N-[(R)-(5-chloro-2-thienyl)-(2-t…

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) 4.81 9.64 -35.97 2 2 1 16 341.953 6 ↓
Hi High (pH 8-9.5) 4.81 7.42 -3.06 1 2 0 15 340.945 6 ↓
Lo Low (pH 4.5-6) 4.81 10.82 -116.44 3 2 2 21 342.961 6 ↓

Parameters Provided:

ring.id = 518392
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 = 518392 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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