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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-indan-5-yl-2-(2-thienyl)ethanamine (1S)-1-indan-5-yl-2-(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) 1.55 8.07 -43.89 3 1 1 28 244.383 3 ↓
Hi High (pH 8-9.5) 1.55 7.74 -3.47 2 1 0 26 243.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-indan-5-yl-2-(2-thienyl)ethanamine (1R)-1-indan-5-yl-2-(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) 1.55 8.1 -40.49 3 1 1 28 244.383 3 ↓
Hi High (pH 8-9.5) 1.55 7.76 -3.34 2 1 0 26 243.375 3 ↓

Analogs

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Popular Name: (1S)-1-indan-5-yl-N-methyl-2-(2-thienyl)ethanamine (1S)-1-indan-5-yl-N-methyl-2-(2-…

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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) 3.80 9.79 -37.8 2 1 1 17 258.41 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-indan-5-yl-N-methyl-2-(2-thienyl)ethanamine (1R)-1-indan-5-yl-N-methyl-2-(2-…

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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) 3.80 9.82 -34.95 2 1 1 17 258.41 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-ethyl-1-indan-5-yl-2-(2-thienyl)ethanamine (1S)-N-ethyl-1-indan-5-yl-2-(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) 4.18 10.62 -35.94 2 1 1 17 272.437 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-ethyl-1-indan-5-yl-2-(2-thienyl)ethanamine (1R)-N-ethyl-1-indan-5-yl-2-(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) 4.18 10.64 -33.29 2 1 1 17 272.437 5 ↓

Parameters Provided:

ring.id = 588275
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 = 588275 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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