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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-(2-furylmethyl)-2-(1,4-thiazepan-4-yl)ethanamine N-(2-furylmethyl)-2-(1,4-thiazep…

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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) 1.44 4.93 -44.44 2 3 1 33 241.38 5 ↓
Hi High (pH 8-9.5) 1.44 3.57 -4.31 1 3 0 28 240.372 5 ↓
Lo Low (pH 4.5-6) 1.44 6.94 -122.61 3 3 2 34 242.388 5 ↓

Analogs

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Popular Name: (1S)-1-(2-furyl)-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine (1S)-1-(2-furyl)-N-[2-(1,4-thiaz…

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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) 2.00 5.97 -40.54 2 3 1 33 255.407 5 ↓
Hi High (pH 8-9.5) 2.00 4.77 -3.7 1 3 0 28 254.399 5 ↓
Lo Low (pH 4.5-6) 2.00 7.48 -120.46 3 3 2 34 256.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-furyl)-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine (1R)-1-(2-furyl)-N-[2-(1,4-thiaz…

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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) 2.00 5.42 -41.84 2 3 1 33 255.407 5 ↓
Hi High (pH 8-9.5) 2.00 4.25 -4.13 1 3 0 28 254.399 5 ↓
Lo Low (pH 4.5-6) 2.00 7.44 -120.58 3 3 2 34 256.415 5 ↓

Analogs

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Popular Name: (2S)-N-(2-furylmethyl)-2-(1,4-thiazepan-4-yl)propan-1-amine (2S)-N-(2-furylmethyl)-2-(1,4-th…

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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) 1.77 5.82 -42.31 2 3 1 33 255.407 5 ↓
Hi High (pH 8-9.5) 1.77 4.5 -3.64 1 3 0 28 254.399 5 ↓
Lo Low (pH 4.5-6) 1.77 7.5 -119.44 3 3 2 34 256.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-furylmethyl)-2-(1,4-thiazepan-4-yl)propan-1-amine (2R)-N-(2-furylmethyl)-2-(1,4-th…

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) 1.77 6.39 -42.15 2 3 1 33 255.407 5 ↓
Hi High (pH 8-9.5) 1.77 5.38 -3.36 1 3 0 28 254.399 5 ↓
Lo Low (pH 4.5-6) 1.77 7.56 -122.12 3 3 2 34 256.415 5 ↓

Parameters Provided:

ring.id = 62122
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 = 62122 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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