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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3-thienyl)ethanamine (1S)-1-(5,6,7,8-tetrahydro-4H-cy…

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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) 2.40 8.18 -39.75 3 1 1 28 278.466 3 ↓
Hi High (pH 8-9.5) 2.40 7.86 -3.13 2 1 0 26 277.458 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3-thienyl)ethanamine (1R)-1-(5,6,7,8-tetrahydro-4H-cy…

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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) 2.40 8.21 -40.12 3 1 1 28 278.466 3 ↓
Hi High (pH 8-9.5) 2.40 7.89 -2.67 2 1 0 26 277.458 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3-thienyl)ethanamine (1S)-N-methyl-1-(5,6,7,8-tetrahy…

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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) 4.65 9.75 -39.94 2 1 1 17 292.493 4 ↓
Hi High (pH 8-9.5) 4.65 8.69 -3 1 1 0 12 291.485 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3-thienyl)ethanamine (1R)-N-methyl-1-(5,6,7,8-tetrahy…

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) 4.65 9.94 -34.65 2 1 1 17 292.493 4 ↓
Hi High (pH 8-9.5) 4.65 8.85 -2.52 1 1 0 12 291.485 4 ↓

Parameters Provided:

ring.id = 588151
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 = 588151 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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