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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-6-methoxy-pyridin-3-amine N-[[(1R,4R,5R)-5-bicyclo[2.2.1]h…

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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) 3.02 4.31 -5.03 1 3 0 34 230.311 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-6-methoxy-pyridin-3-amine N-[[(1R,4R,5S)-5-bicyclo[2.2.1]h…

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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) 3.02 4.31 -4.84 1 3 0 34 230.311 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{bicyclo[2.2.1]hept-5-en-2-ylmethyl}pyridin-3-amine N-{bicyclo[2.2.1]hept-5-en-2-ylm…

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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) 2.62 5.84 -4.33 1 2 0 25 200.285 3 ↓
Mid Mid (pH 6-8) 2.62 6.29 -28.84 2 2 1 26 201.293 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{bicyclo[2.2.1]hept-5-en-2-ylmethyl}pyridin-3-amine N-{bicyclo[2.2.1]hept-5-en-2-ylm…

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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) 2.62 5.84 -4.1 1 2 0 25 200.285 3 ↓
Mid Mid (pH 6-8) 2.62 6.3 -30.37 2 2 1 26 201.293 3 ↓

Analogs

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Popular Name: N3-[[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-N4,N4-dimethyl-pyridine-3,4-diamine N3-[[(1R,4R,5R)-5-bicyclo[2.2.1]…

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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) 2.65 7.48 -28.38 2 3 1 29 244.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N3-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-N4,N4-dimethyl-pyridine-3,4-diamine N3-[[(1R,4R,5S)-5-bicyclo[2.2.1]…

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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) 2.65 7.48 -30.02 2 3 1 29 244.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N3-[[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-2-methoxy-N4,N4-dimethyl-pyridine-3,4-diamine N3-[[(1R,4R,5R)-5-bicyclo[2.2.1]…

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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) 2.83 6.72 -27.15 2 4 1 39 274.388 5 ↓
Hi High (pH 8-9.5) 2.83 5.84 -4.38 1 4 0 37 273.38 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N3-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-2-methoxy-N4,N4-dimethyl-pyridine-3,4-diamine N3-[[(1R,4R,5S)-5-bicyclo[2.2.1]…

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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) 2.83 6.73 -28.04 2 4 1 39 274.388 5 ↓
Hi High (pH 8-9.5) 2.83 5.85 -4.01 1 4 0 37 273.38 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-6-(2-methoxyethoxy)pyridin-3-amine N-[[(1R,4R,5R)-5-bicyclo[2.2.1]h…

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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) 2.91 4.51 -6.62 1 4 0 43 274.364 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-6-(2-methoxyethoxy)pyridin-3-amine N-[[(1R,4R,5S)-5-bicyclo[2.2.1]h…

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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) 2.91 4.52 -6.44 1 4 0 43 274.364 7 ↓

Analogs

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Popular Name: N-[[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-2-chloro-pyridin-3-amine N-[[(1R,4R,5R)-5-bicyclo[2.2.1]h…

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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) 3.42 6.35 -4.92 1 2 0 25 234.73 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-2-chloro-pyridin-3-amine N-[[(1R,4R,5S)-5-bicyclo[2.2.1]h…

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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) 3.42 6.37 -5.29 1 2 0 25 234.73 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N5-[[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-N2,N2-dimethyl-pyridine-2,5-diamine N5-[[(1R,4R,5R)-5-bicyclo[2.2.1]…

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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) 3.06 7.79 -24.61 2 3 1 29 244.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N5-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-N2,N2-dimethyl-pyridine-2,5-diamine N5-[[(1R,4R,5S)-5-bicyclo[2.2.1]…

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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) 3.06 7.8 -25.99 2 3 1 29 244.362 4 ↓

Analogs

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Popular Name: N5-[[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-N2,N2-diethyl-pyridine-2,5-diamine N5-[[(1R,4R,5R)-5-bicyclo[2.2.1]…

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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) 3.81 9.68 -24.04 2 3 1 29 272.416 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N5-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-N2,N2-diethyl-pyridine-2,5-diamine N5-[[(1R,4R,5S)-5-bicyclo[2.2.1]…

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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) 3.81 9.68 -25.48 2 3 1 29 272.416 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-2-ethoxy-pyridin-3-amine N-[[(1R,4R,5R)-5-bicyclo[2.2.1]h…

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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) 3.17 5.39 -4.59 1 3 0 34 244.338 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-2-ethoxy-pyridin-3-amine N-[[(1R,4R,5S)-5-bicyclo[2.2.1]h…

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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) 3.17 5.41 -4.75 1 3 0 34 244.338 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N3-[[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-N2,N2-dimethyl-pyridine-2,3-diamine N3-[[(1R,4R,5R)-5-bicyclo[2.2.1]…

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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) 2.84 8.16 -25.68 2 3 1 29 244.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N3-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-N2,N2-dimethyl-pyridine-2,3-diamine N3-[[(1R,4R,5S)-5-bicyclo[2.2.1]…

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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) 2.84 8.17 -26.8 2 3 1 29 244.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-2-methoxy-pyridin-3-amine N-[[(1R,4R,5R)-5-bicyclo[2.2.1]h…

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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) 2.80 4.45 -4.72 1 3 0 34 230.311 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-2-methoxy-pyridin-3-amine N-[[(1R,4R,5S)-5-bicyclo[2.2.1]h…

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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) 2.80 4.47 -4.87 1 3 0 34 230.311 4 ↓

Parameters Provided:

ring.id = 544834
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 = 544834 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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