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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-[(4-bromo-2-thienyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine N-[(4-bromo-2-thienyl)methyl]-1-…

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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 3.52 -41.56 2 3 1 29 306.249 4 ↓
Mid Mid (pH 6-8) 2.00 2.17 -3.31 1 3 0 24 305.241 4 ↓
Lo Low (pH 4.5-6) 2.00 4.6 -36.79 2 3 1 26 306.249 4 ↓

Analogs

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Popular Name: N-[(4-bromo-2-thienyl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine N-[(4-bromo-2-thienyl)methyl]-1-…

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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 3.56 -41.36 2 3 1 29 306.249 4 ↓
Mid Mid (pH 6-8) 2.00 2.15 -4 1 3 0 24 305.241 4 ↓
Lo Low (pH 4.5-6) 2.00 4.57 -37.93 2 3 1 26 306.249 4 ↓

Analogs

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Popular Name: 1-[(2R)-4-ethylmorpholin-2-yl]-N-[(5-methyl-2-thienyl)methyl]methanamine 1-[(2R)-4-ethylmorpholin-2-yl]-N…

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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) 1.86 4.53 -38.8 2 3 1 29 255.407 5 ↓
Mid Mid (pH 6-8) 1.86 3.18 -3.64 1 3 0 24 254.399 5 ↓
Lo Low (pH 4.5-6) 1.86 5.46 -35.46 2 3 1 26 255.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-4-ethylmorpholin-2-yl]-N-[(5-methyl-2-thienyl)methyl]methanamine 1-[(2S)-4-ethylmorpholin-2-yl]-N…

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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) 1.86 4.57 -38.07 2 3 1 29 255.407 5 ↓
Mid Mid (pH 6-8) 1.86 3.15 -4.07 1 3 0 24 254.399 5 ↓
Lo Low (pH 4.5-6) 1.86 5.44 -36.09 2 3 1 26 255.407 5 ↓

Analogs

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Popular Name: 1-[(2R)-4-ethylmorpholin-2-yl]-N-[(3-methyl-2-thienyl)methyl]methanamine 1-[(2R)-4-ethylmorpholin-2-yl]-N…

Find On: PubMed — Wikipedia — Google

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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) 2.01 4.28 -38.81 2 3 1 29 255.407 5 ↓
Mid Mid (pH 6-8) 2.01 2.91 -3.45 1 3 0 24 254.399 5 ↓
Lo Low (pH 4.5-6) 2.01 5.19 -35.52 2 3 1 26 255.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-4-ethylmorpholin-2-yl]-N-[(3-methyl-2-thienyl)methyl]methanamine 1-[(2S)-4-ethylmorpholin-2-yl]-N…

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) 2.01 4.31 -37.96 2 3 1 29 255.407 5 ↓
Mid Mid (pH 6-8) 2.01 2.88 -3.72 1 3 0 24 254.399 5 ↓
Lo Low (pH 4.5-6) 2.01 5.16 -35.9 2 3 1 26 255.407 5 ↓

Parameters Provided:

ring.id = 403770
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 = 403770 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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