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

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Popular Name: (1R,5S)-9-[(1S)-2-cyclopropyl-1-methyl-ethyl]-9-azabicyclo[3.3.1]nonan-7-amine (1R,5S)-9-[(1S)-2-cyclopropyl-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) 1.96 6.05 -104.5 4 2 2 32 224.392 3 ↓
Mid Mid (pH 6-8) 1.96 5.73 -27.38 3 2 1 30 223.384 3 ↓
Mid Mid (pH 6-8) 1.96 4.84 -42.38 3 2 1 31 223.384 3 ↓

Analogs

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Popular Name: (1R,5S)-9-[(1R)-2-cyclopropyl-1-methyl-ethyl]-9-azabicyclo[3.3.1]nonan-7-amine (1R,5S)-9-[(1R)-2-cyclopropyl-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) 1.96 6.33 -104.55 4 2 2 32 224.392 3 ↓
Mid Mid (pH 6-8) 1.96 6.02 -29.37 3 2 1 30 223.384 3 ↓
Mid Mid (pH 6-8) 1.96 4.44 -42.05 3 2 1 31 223.384 3 ↓

Analogs

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Popular Name: (1R,5S)-9-[(1S)-2-cyclopropyl-1-methyl-ethyl]-N-methyl-9-azabicyclo[3.3.1]nonan-7-amine (1R,5S)-9-[(1S)-2-cyclopropyl-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) 2.87 7.69 -97.24 3 2 2 21 238.419 4 ↓
Mid Mid (pH 6-8) 2.87 6.46 -28.06 2 2 1 16 237.411 4 ↓
Mid Mid (pH 6-8) 2.87 5.99 -38.72 2 2 1 20 237.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-9-[(1R)-2-cyclopropyl-1-methyl-ethyl]-N-methyl-9-azabicyclo[3.3.1]nonan-7-amine (1R,5S)-9-[(1R)-2-cyclopropyl-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) 2.87 8.05 -99.8 3 2 2 21 238.419 4 ↓
Mid Mid (pH 6-8) 2.87 6.8 -29.62 2 2 1 16 237.411 4 ↓
Mid Mid (pH 6-8) 2.87 6.16 -36.94 2 2 1 20 237.411 4 ↓

Analogs

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Popular Name: (1R,5S)-9-[(1S)-2-cyclopropyl-1-methyl-ethyl]-N-propyl-9-azabicyclo[3.3.1]nonan-7-amine (1R,5S)-9-[(1S)-2-cyclopropyl-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) 3.75 9.44 -98.95 3 2 2 21 266.473 6 ↓
Mid Mid (pH 6-8) 3.75 8.29 -37.69 2 2 1 20 265.465 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-9-[(1S)-2-cyclopropyl-1-methyl-ethyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-7-amine (1R,5S)-9-[(1S)-2-cyclopropyl-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) 3.25 8.6 -99.33 3 2 2 21 252.446 5 ↓
Hi High (pH 8-9.5) 3.25 7.44 -27.09 2 2 1 16 251.438 5 ↓
Mid Mid (pH 6-8) 3.25 7.38 -35.96 2 2 1 20 251.438 5 ↓

Analogs

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Popular Name: (1R,5S)-9-[(1S)-1-(cyclopropylmethyl)propyl]-N-methyl-9-azabicyclo[3.3.1]nonan-7-amine (1R,5S)-9-[(1S)-1-(cyclopropylme…

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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) 3.41 8.07 -97.18 3 2 2 21 252.446 5 ↓
Mid Mid (pH 6-8) 3.41 6.85 -27.94 2 2 1 16 251.438 5 ↓
Mid Mid (pH 6-8) 3.41 6.23 -38.77 2 2 1 20 251.438 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-9-[(1R)-1-(cyclopropylmethyl)propyl]-N-methyl-9-azabicyclo[3.3.1]nonan-7-amine (1R,5S)-9-[(1R)-1-(cyclopropylme…

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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) 3.41 8.16 -100.01 3 2 2 21 252.446 5 ↓
Mid Mid (pH 6-8) 3.41 6.91 -28.55 2 2 1 16 251.438 5 ↓
Mid Mid (pH 6-8) 3.41 6.98 -37.19 2 2 1 20 251.438 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-9-[(1S)-1-(cyclopropylmethyl)propyl]-N-propyl-9-azabicyclo[3.3.1]nonan-7-amine (1R,5S)-9-[(1S)-1-(cyclopropylme…

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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) 4.28 9.87 -98.92 3 2 2 21 280.5 7 ↓
Hi High (pH 8-9.5) 4.28 8.73 -27.88 2 2 1 16 279.492 7 ↓
Mid Mid (pH 6-8) 4.28 8.52 -37.97 2 2 1 20 279.492 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-9-[(1S)-1-(cyclopropylmethyl)propyl]-9-azabicyclo[3.3.1]nonan-7-amine (1R,5S)-9-[(1S)-1-(cyclopropylme…

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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) 2.50 6.45 -105.55 4 2 2 32 238.419 4 ↓
Mid Mid (pH 6-8) 2.50 5.21 -42.33 3 2 1 31 237.411 4 ↓
Mid Mid (pH 6-8) 2.50 6.13 -27.04 3 2 1 30 237.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-9-[(1R)-1-(cyclopropylmethyl)propyl]-9-azabicyclo[3.3.1]nonan-7-amine (1R,5S)-9-[(1R)-1-(cyclopropylme…

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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) 2.50 6.79 -104.08 4 2 2 32 238.419 4 ↓
Mid Mid (pH 6-8) 2.50 5.19 -45.12 3 2 1 31 237.411 4 ↓
Mid Mid (pH 6-8) 2.50 6.49 -28.13 3 2 1 30 237.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-9-[(1S)-1-(cyclopropylmethyl)propyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-7-amine (1R,5S)-9-[(1S)-1-(cyclopropylme…

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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) 3.78 9.01 -100.61 3 2 2 21 266.473 6 ↓
Hi High (pH 8-9.5) 3.78 7.82 -27.1 2 2 1 16 265.465 6 ↓
Mid Mid (pH 6-8) 3.78 7.76 -36.01 2 2 1 20 265.465 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-9-[(1R)-1-(cyclopropylmethyl)propyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-7-amine (1R,5S)-9-[(1R)-1-(cyclopropylme…

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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) 3.78 9 -100.2 3 2 2 21 266.473 6 ↓
Hi High (pH 8-9.5) 3.78 7.83 -28.6 2 2 1 16 265.465 6 ↓
Mid Mid (pH 6-8) 3.78 7.83 -35.98 2 2 1 20 265.465 6 ↓

Parameters Provided:

ring.id = 389390
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 = 389390 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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