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

42254198
42254198

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Popular Name: 1-(5-bromo-3-thienyl)-N-[[(2S)-tetrahydropyran-2-yl]methyl]methanamine 1-(5-bromo-3-thienyl)-N-[[(2S)-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) 2.90 6.07 -41.51 2 2 1 26 291.234 4 ↓
Hi High (pH 8-9.5) 2.90 4.64 -2.89 1 2 0 21 290.226 4 ↓

Analogs

42254194
42254194

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Popular Name: 1-(5-bromo-3-thienyl)-N-[[(2R)-tetrahydropyran-2-yl]methyl]methanamine 1-(5-bromo-3-thienyl)-N-[[(2R)-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) 2.90 6.1 -42 2 2 1 26 291.234 4 ↓
Hi High (pH 8-9.5) 2.90 4.74 -2.55 1 2 0 21 290.226 4 ↓

Analogs

42254231
42254231

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Popular Name: N-[[(2S)-tetrahydropyran-2-yl]methyl]-1-(3-thienyl)methanamine N-[[(2S)-tetrahydropyran-2-yl]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) 1.96 5.34 -38.3 2 2 1 26 212.338 4 ↓
Hi High (pH 8-9.5) 1.96 3.91 -3.38 1 2 0 21 211.33 4 ↓

Analogs

42254227
42254227

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Popular Name: N-[[(2R)-tetrahydropyran-2-yl]methyl]-1-(3-thienyl)methanamine N-[[(2R)-tetrahydropyran-2-yl]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) 1.96 5.37 -38.25 2 2 1 26 212.338 4 ↓
Hi High (pH 8-9.5) 1.96 4.01 -2.64 1 2 0 21 211.33 4 ↓

Analogs

42463704
42463704
43423559
43423559
43423560
43423560
43423561
43423561
43423562
43423562

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Popular Name: (1R)-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]-1-(3-thienyl)ethane-1,2-diamine (1R)-N-methyl-N-[[(2S)-tetrahydr…

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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) 1.20 2.95 -42.03 3 3 1 40 255.407 5 ↓
Hi High (pH 8-9.5) 1.20 2.59 -2.98 2 3 0 38 254.399 5 ↓
Mid Mid (pH 6-8) 1.20 5.16 -115.34 4 3 2 41 256.415 5 ↓

Analogs

43423559
43423559
43423560
43423560
43423561
43423561
43423562
43423562
43423563
43423563

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]-1-(3-thienyl)ethane-1,2-diamine (1R)-N-methyl-N-[[(2R)-tetrahydr…

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) 1.20 3.27 -48.66 3 3 1 40 255.407 5 ↓
Hi High (pH 8-9.5) 1.20 2.89 -3.47 2 3 0 38 254.399 5 ↓
Mid Mid (pH 6-8) 1.20 5.17 -115.7 4 3 2 41 256.415 5 ↓

Parameters Provided:

ring.id = 49829
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 = 49829 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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