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Analogs

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Popular Name: (4R)-N-[2-[(2S)-tetrahydrofuran-2-yl]ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[2-[(2S)-tetrahydrofuran-…

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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) 1.47 7.05 -37.68 2 2 1 26 252.403 4 ↓
Hi High (pH 8-9.5) 1.47 6 -3.09 1 2 0 21 251.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[2-[(2S)-tetrahydrofuran-2-yl]ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[2-[(2S)-tetrahydrofuran-…

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) 1.47 7.05 -37.48 2 2 1 26 252.403 4 ↓
Hi High (pH 8-9.5) 1.47 5.87 -3.64 1 2 0 21 251.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[2-[(2R)-tetrahydrofuran-2-yl]ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[2-[(2R)-tetrahydrofuran-…

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) 1.47 7.04 -37.88 2 2 1 26 252.403 4 ↓
Hi High (pH 8-9.5) 1.47 5.98 -3.8 1 2 0 21 251.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[2-[(2R)-tetrahydrofuran-2-yl]ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[2-[(2R)-tetrahydrofuran-…

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) 1.47 7.04 -38.09 2 2 1 26 252.403 4 ↓
Hi High (pH 8-9.5) 1.47 5.85 -3.86 1 2 0 21 251.395 4 ↓

Parameters Provided:

ring.id = 210757
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 = 210757 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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