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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9708289
9708289
9708290
9708290
9708291
9708291
4305633
4305633
4305635
4305635

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Popular Name: N'-[2-indolin-1-yl-2-(2-thienyl)ethyl]-N-methyl-oxamide N'-[2-indolin-1-yl-2-(2-thienyl)…

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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) 1.73 -5.25 -7.46 2 5 0 61 329.425 5 ↓

Analogs

9708290
9708290
9708291
9708291
4305633
4305633
4305635
4305635

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-indolin-1-yl-2-(2-thienyl)ethyl]-N-methyl-oxamide N'-[2-indolin-1-yl-2-(2-thienyl)…

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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) 1.73 -5.24 -7.39 2 5 0 61 329.425 5 ↓

Analogs

9708291
9708291
4305749
4305749
4305751
4305751

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Popular Name: N'-[2-indolin-1-yl-2-(2-thienyl)ethyl]-N-isopropyl-oxamide N'-[2-indolin-1-yl-2-(2-thienyl)…

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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) 2.40 -4.65 -6.84 2 5 0 61 357.479 6 ↓

Analogs

9708290
9708290
4305749
4305749

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-indolin-1-yl-2-(2-thienyl)ethyl]-N-isopropyl-oxamide N'-[2-indolin-1-yl-2-(2-thienyl)…

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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) 2.40 -4.64 -6.85 2 5 0 61 357.479 6 ↓

Analogs

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Popular Name: 2-[(3R)-1-[(1R)-1-(3-methyl-2-thienyl)ethyl]indolin-3-yl]ethanamine 2-[(3R)-1-[(1R)-1-(3-methyl-2-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) 3.13 7.57 -47.48 3 2 1 31 287.452 4 ↓

Analogs

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Popular Name: 2-[(3R)-1-[(1S)-1-(3-methyl-2-thienyl)ethyl]indolin-3-yl]ethanamine 2-[(3R)-1-[(1S)-1-(3-methyl-2-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) 3.13 7.55 -48.73 3 2 1 31 287.452 4 ↓

Analogs

43239225
43239225
43239228
43239228
43239230
43239230
43239233
43239233
43239236
43239236

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2S)-2-methylindolin-1-yl]-2-(5-methyl-2-thienyl)ethanamine (2R)-2-[(2S)-2-methylindolin-1-y…

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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) 2.87 8.01 -45.48 3 2 1 31 273.425 3 ↓
Hi High (pH 8-9.5) 2.87 7.63 -3.37 2 2 0 29 272.417 3 ↓

Analogs

43239225
43239225
43239228
43239228
43239230
43239230
43239233
43239233
43239236
43239236

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2S)-2-methylindolin-1-yl]-2-(5-methyl-2-thienyl)ethanamine (2S)-2-[(2S)-2-methylindolin-1-y…

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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) 2.87 7.91 -47.06 3 2 1 31 273.425 3 ↓
Hi High (pH 8-9.5) 2.87 7.2 -4.68 2 2 0 29 272.417 3 ↓

Analogs

43251982
43251982
43251984
43251984
43251986
43251986
43251987
43251987
43251989
43251989

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(5-chloro-2-thienyl)-2-[(2R)-2-methylindolin-1-yl]ethanamine (2S)-2-(5-chloro-2-thienyl)-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) 3.45 7.82 -48.85 3 2 1 31 293.843 3 ↓
Hi High (pH 8-9.5) 3.45 7.45 -3.09 2 2 0 29 292.835 3 ↓

Analogs

43251982
43251982
43251984
43251984
43251986
43251986
43251987
43251987
43251989
43251989

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(5-chloro-2-thienyl)-2-[(2S)-2-methylindolin-1-yl]ethanamine (2S)-2-(5-chloro-2-thienyl)-2-[(…

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) 3.45 7.7 -50.48 3 2 1 31 293.843 3 ↓
Hi High (pH 8-9.5) 3.45 7.33 -3.22 2 2 0 29 292.835 3 ↓

Parameters Provided:

ring.id = 8118
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 = 8118 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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