UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38003055
38003055
38003056
38003056

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Popular Name: 2-(pyrrolidin-1-ylmethyl)-N-[(1S)-1-(2-thienyl)propyl]aniline 2-(pyrrolidin-1-ylmethyl)-N-[(1S…

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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) 4.31 10.6 -31.26 2 2 1 16 301.479 6 ↓

Analogs

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Popular Name: 2-(pyrrolidin-1-ylmethyl)-N-[(1R)-1-(2-thienyl)propyl]aniline 2-(pyrrolidin-1-ylmethyl)-N-[(1R…

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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) 4.31 11.12 -33.32 2 2 1 16 301.479 6 ↓

Analogs

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Popular Name: N-[(5-methyl-2-thienyl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(5-methyl-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) 3.47 10.38 -30.85 2 2 1 16 287.452 5 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline 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) 4.05 10.17 -32.14 2 2 1 16 307.87 5 ↓

Analogs

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Popular Name: 2-(pyrrolidin-1-ylmethyl)-N-(2-thienylmethyl)aniline 2-(pyrrolidin-1-ylmethyl)-N-(2-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) 3.25 9.55 -30.95 2 2 1 16 273.425 5 ↓

Analogs

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Popular Name: N-[(3-methyl-2-thienyl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(3-methyl-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) 3.63 10.12 -30.97 2 2 1 16 287.452 5 ↓

Analogs

37985154
37985154
38003007
38003007
38003008
38003008
38003055
38003055
38003056
38003056

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Popular Name: N-[(5-bromo-2-thienyl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline 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) 4.18 10.28 -32.14 2 2 1 16 352.321 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(5-chloro-2-thienyl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(1S)-1-(5-chloro-2-thienyl)et…

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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) 4.61 10.88 -32.19 2 2 1 16 321.897 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(5-chloro-2-thienyl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(1R)-1-(5-chloro-2-thienyl)et…

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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) 4.61 10.87 -31.5 2 2 1 16 321.897 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(5-methyl-2-thienyl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(1R)-1-(5-methyl-2-thienyl)et…

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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) 4.03 11.08 -30.66 2 2 1 16 301.479 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(5-methyl-2-thienyl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(1S)-1-(5-methyl-2-thienyl)et…

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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) 4.03 11.08 -31.38 2 2 1 16 301.479 5 ↓

Analogs

38003055
38003055
38003056
38003056

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(pyrrolidin-1-ylmethyl)-N-[(1S)-1-(2-thienyl)ethyl]aniline 2-(pyrrolidin-1-ylmethyl)-N-[(1S…

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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) 3.81 10.25 -31.39 2 2 1 16 287.452 5 ↓

Analogs

38003055
38003055
38003056
38003056

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(pyrrolidin-1-ylmethyl)-N-[(1R)-1-(2-thienyl)ethyl]aniline 2-(pyrrolidin-1-ylmethyl)-N-[(1R…

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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) 3.81 10.25 -30.68 2 2 1 16 287.452 5 ↓

Analogs

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Popular Name: N-[(4-bromo-2-thienyl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(4-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) 3.99 10.16 -32.34 2 2 1 16 352.321 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-methyl-2-thienyl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(1R)-1-(3-methyl-2-thienyl)et…

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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) 4.19 10.8 -30.55 2 2 1 16 301.479 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(3-methyl-2-thienyl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(1S)-1-(3-methyl-2-thienyl)et…

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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) 4.19 10.8 -31.22 2 2 1 16 301.479 5 ↓

Analogs

38003055
38003055
38003056
38003056

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(3-bromo-2-thienyl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(1S)-1-(3-bromo-2-thienyl)eth…

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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) 4.55 10.78 -33.75 2 2 1 16 366.348 5 ↓

Analogs

38003055
38003055
38003056
38003056

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3-bromo-2-thienyl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(1R)-1-(3-bromo-2-thienyl)eth…

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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) 4.55 10.78 -32.68 2 2 1 16 366.348 5 ↓

Parameters Provided:

ring.id = 149912
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 = 149912 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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