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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1S)-N-[(R)-cyclopropyl(phenyl)methyl]-1-(2-pyridyl)ethanamine (1S)-N-[(R)-cyclopropyl(phenyl)m…

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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) 3.34 9.21 -32.72 2 2 1 29 253.369 5 ↓

Analogs

10315442
10315442
10315441
10315441

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Popular Name: (1R)-N-[(R)-cyclopropyl(phenyl)methyl]-1-(2-pyridyl)ethanamine (1R)-N-[(R)-cyclopropyl(phenyl)m…

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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) 3.34 9.04 -32.16 2 2 1 29 253.369 5 ↓

Analogs

10315442
10315442
10315441
10315441

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(S)-cyclopropyl(phenyl)methyl]-1-(2-pyridyl)ethanamine (1S)-N-[(S)-cyclopropyl(phenyl)m…

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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) 3.34 9.27 -31.78 2 2 1 29 253.369 5 ↓

Analogs

10315442
10315442
10315441
10315441

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(S)-cyclopropyl(phenyl)methyl]-1-(2-pyridyl)ethanamine (1R)-N-[(S)-cyclopropyl(phenyl)m…

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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) 3.34 9.4 -32.65 2 2 1 29 253.369 5 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-1-(4-fluorophenyl)-N-(2-pyridylmethyl)methanamine (1R)-1-cyclopropyl-1-(4-fluoroph…

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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) 2.94 8.34 -42.54 2 2 1 29 257.332 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-1-(4-fluorophenyl)-N-(2-pyridylmethyl)methanamine (1S)-1-cyclopropyl-1-(4-fluoroph…

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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) 2.94 8.59 -41.88 2 2 1 29 257.332 5 ↓

Analogs

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Popular Name: (1S)-N-[(R)-cyclopropyl(p-tolyl)methyl]-1-(2-pyridyl)ethanamine (1S)-N-[(R)-cyclopropyl(p-tolyl)…

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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) 3.79 9.9 -32.73 2 2 1 29 267.396 5 ↓

Analogs

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Popular Name: (1S)-N-[(S)-cyclopropyl(p-tolyl)methyl]-1-(2-pyridyl)ethanamine (1S)-N-[(S)-cyclopropyl(p-tolyl)…

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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) 3.79 9.78 -32.25 2 2 1 29 267.396 5 ↓

Analogs

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Popular Name: (1R)-N-[(R)-cyclopropyl(p-tolyl)methyl]-1-(2-pyridyl)ethanamine (1R)-N-[(R)-cyclopropyl(p-tolyl)…

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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) 3.79 9.73 -32.22 2 2 1 29 267.396 5 ↓

Analogs

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Popular Name: (1R)-N-[(S)-cyclopropyl(p-tolyl)methyl]-1-(2-pyridyl)ethanamine (1R)-N-[(S)-cyclopropyl(p-tolyl)…

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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) 3.79 10.08 -32.74 2 2 1 29 267.396 5 ↓

Analogs

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Popular Name: (1S)-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-1-(2-pyridyl)ethanamine (1S)-N-[(R)-cyclopropyl-(4-metho…

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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) 3.39 8.52 -35.04 2 3 1 39 283.395 6 ↓

Analogs

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Popular Name: (1R)-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-1-(2-pyridyl)ethanamine (1R)-N-[(R)-cyclopropyl-(4-metho…

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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) 3.39 8.33 -35.02 2 3 1 39 283.395 6 ↓

Analogs

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Popular Name: (1S)-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-1-(2-pyridyl)ethanamine (1S)-N-[(S)-cyclopropyl-(4-metho…

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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) 3.39 8.4 -35.04 2 3 1 39 283.395 6 ↓

Analogs

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Popular Name: (1R)-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-1-(2-pyridyl)ethanamine (1R)-N-[(S)-cyclopropyl-(4-metho…

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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) 3.39 8.7 -35.06 2 3 1 39 283.395 6 ↓

Analogs

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Popular Name: (1S)-N-[(R)-(4-chlorophenyl)-cyclopropyl-methyl]-1-(2-pyridyl)ethanamine (1S)-N-[(R)-(4-chlorophenyl)-cyc…

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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) 4.01 9.74 -36.2 2 2 1 29 287.814 5 ↓

Analogs

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Popular Name: (1R)-N-[(R)-(4-chlorophenyl)-cyclopropyl-methyl]-1-(2-pyridyl)ethanamine (1R)-N-[(R)-(4-chlorophenyl)-cyc…

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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) 4.01 9.56 -36.19 2 2 1 29 287.814 5 ↓

Analogs

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Popular Name: (1S)-N-[(S)-(4-chlorophenyl)-cyclopropyl-methyl]-1-(2-pyridyl)ethanamine (1S)-N-[(S)-(4-chlorophenyl)-cyc…

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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) 4.01 9.62 -36.24 2 2 1 29 287.814 5 ↓

Analogs

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Popular Name: (1R)-N-[(S)-(4-chlorophenyl)-cyclopropyl-methyl]-1-(2-pyridyl)ethanamine (1R)-N-[(S)-(4-chlorophenyl)-cyc…

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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) 4.01 9.92 -36.19 2 2 1 29 287.814 5 ↓

Analogs

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Popular Name: (1S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-1-(2-pyridyl)ethanamine (1S)-N-[(R)-cyclopropyl-(4-fluor…

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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) 3.50 9.29 -37.12 2 2 1 29 271.359 5 ↓

Analogs

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Popular Name: (1R)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-1-(2-pyridyl)ethanamine (1R)-N-[(R)-cyclopropyl-(4-fluor…

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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) 3.50 9.1 -37.12 2 2 1 29 271.359 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-1-(2-pyridyl)ethanamine (1S)-N-[(S)-cyclopropyl-(4-fluor…

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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) 3.50 9.17 -37.14 2 2 1 29 271.359 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-1-(2-pyridyl)ethanamine (1R)-N-[(S)-cyclopropyl-(4-fluor…

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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) 3.50 9.47 -37.12 2 2 1 29 271.359 5 ↓

Parameters Provided:

ring.id = 135439
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 = 135439 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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