UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37800032
37800032
37800108
37800108
37800169
37800169

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-[cyclopropylmethyl(propyl)amino]-N-methyl-acetamide N-[(5-chloro-2-thienyl)methyl]-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) 3.54 10.5 -37.9 1 3 1 25 315.89 8 ↓
Hi High (pH 8-9.5) 3.54 8.49 -8.97 0 3 0 24 314.882 8 ↓

Analogs

47470805
47470805
47470806
47470806
48966899
48966899
48966902
48966902
48966905
48966905

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Popular Name: 2-(cyclopropylmethylamino)-N-methyl-N-[(1S)-1-(2-thienyl)ethyl]acetamide 2-(cyclopropylmethylamino)-N-met…

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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) 1.83 6.88 -42.34 2 3 1 37 253.391 6 ↓
Hi High (pH 8-9.5) 1.83 5.53 -7.63 1 3 0 32 252.383 6 ↓

Analogs

47470805
47470805
47470806
47470806
48966899
48966899
48966902
48966902
48966905
48966905

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Popular Name: 2-(cyclopropylmethylamino)-N-methyl-N-[(1R)-1-(2-thienyl)ethyl]acetamide 2-(cyclopropylmethylamino)-N-met…

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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) 1.83 6.87 -42.4 2 3 1 37 253.391 6 ↓
Hi High (pH 8-9.5) 1.83 5.51 -7.4 1 3 0 32 252.383 6 ↓

Analogs

48801609
48801609
48801612
48801612
48801657
48801657
48801661
48801661
49317237
49317237

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Popular Name: 2-(cyclopropylmethylamino)-N-methyl-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]acetamide 2-(cyclopropylmethylamino)-N-met…

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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) 2.05 7.71 -42.55 2 3 1 37 267.418 6 ↓
Hi High (pH 8-9.5) 2.05 6.35 -7.56 1 3 0 32 266.41 6 ↓

Analogs

48801609
48801609
48801612
48801612
48801657
48801657
48801661
48801661
49317237
49317237

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylmethylamino)-N-methyl-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]acetamide 2-(cyclopropylmethylamino)-N-met…

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) 2.05 7.71 -42.42 2 3 1 37 267.418 6 ↓
Hi High (pH 8-9.5) 2.05 6.36 -7.89 1 3 0 32 266.41 6 ↓

Analogs

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Popular Name: 2-(cyclopropylmethylamino)-N-[(1S)-1-(2-thienyl)propyl]acetamide 2-(cyclopropylmethylamino)-N-[(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) 2.58 5.93 -41.03 3 3 1 46 253.391 7 ↓
Hi High (pH 8-9.5) 2.58 4.56 -5.44 2 3 0 41 252.383 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylmethylamino)-N-[(1R)-1-(2-thienyl)propyl]acetamide 2-(cyclopropylmethylamino)-N-[(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) 2.58 5.93 -40.98 3 3 1 46 253.391 7 ↓
Hi High (pH 8-9.5) 2.58 4.56 -5.39 2 3 0 41 252.383 7 ↓

Analogs

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Popular Name: 2-(cyclopropylmethylamino)-N-[(1S)-1-(2-thienyl)butyl]acetamide 2-(cyclopropylmethylamino)-N-[(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) 3.14 7.02 -42.6 3 3 1 46 267.418 8 ↓
Hi High (pH 8-9.5) 3.14 5.66 -7.54 2 3 0 41 266.41 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylmethylamino)-N-[(1R)-1-(2-thienyl)butyl]acetamide 2-(cyclopropylmethylamino)-N-[(1…

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) 3.14 7.02 -42.62 3 3 1 46 267.418 8 ↓
Hi High (pH 8-9.5) 3.14 5.66 -7.39 2 3 0 41 266.41 8 ↓

Analogs

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Popular Name: N-[(5-bromo-2-thienyl)methyl]-2-(cyclopropylmethylamino)acetamide N-[(5-bromo-2-thienyl)methyl]-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) 2.46 5.23 -42.94 3 3 1 46 304.233 6 ↓
Hi High (pH 8-9.5) 2.46 3.87 -6.16 2 3 0 41 303.225 6 ↓

Parameters Provided:

ring.id = 32095
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 = 32095 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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