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Analogs

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Popular Name: N-[2-(azocan-1-yl)ethyl]cyclohexanamine N-[2-(azocan-1-yl)ethyl]cyclohex…

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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) 3.95 9.01 -114.04 3 2 2 21 240.435 4 ↓
Mid Mid (pH 6-8) 3.95 7.71 -36.95 2 2 1 20 239.427 4 ↓

Analogs

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Popular Name: N-[2-(azocan-1-yl)ethyl]-4-methyl-cyclohexanamine N-[2-(azocan-1-yl)ethyl]-4-methy…

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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) 3.72 9.38 -115.99 3 2 2 21 254.462 4 ↓
Mid Mid (pH 6-8) 3.72 8.06 -37.59 2 2 1 20 253.454 4 ↓

Analogs

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Popular Name: (1S,2R)-N-[2-(azocan-1-yl)ethyl]-2-methyl-cyclohexanamine (1S,2R)-N-[2-(azocan-1-yl)ethyl]…

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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 9.47 -115.18 3 2 2 21 254.462 4 ↓
Mid Mid (pH 6-8) 4.19 8.15 -36.47 2 2 1 20 253.454 4 ↓

Analogs

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Popular Name: (1S,2S)-N-[2-(azocan-1-yl)ethyl]-2-methyl-cyclohexanamine (1S,2S)-N-[2-(azocan-1-yl)ethyl]…

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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 9.67 -114.54 3 2 2 21 254.462 4 ↓
Mid Mid (pH 6-8) 4.19 8.34 -35.91 2 2 1 20 253.454 4 ↓

Analogs

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Popular Name: (1R,2R)-N-[2-(azocan-1-yl)ethyl]-2-methyl-cyclohexanamine (1R,2R)-N-[2-(azocan-1-yl)ethyl]…

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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 9.67 -114.51 3 2 2 21 254.462 4 ↓
Mid Mid (pH 6-8) 4.19 8.34 -35.97 2 2 1 20 253.454 4 ↓

Analogs

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Popular Name: (1R,2S)-N-[2-(azocan-1-yl)ethyl]-2-methyl-cyclohexanamine (1R,2S)-N-[2-(azocan-1-yl)ethyl]…

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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 9.48 -115.09 3 2 2 21 254.462 4 ↓
Mid Mid (pH 6-8) 4.19 8.16 -36.41 2 2 1 20 253.454 4 ↓

Analogs

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Popular Name: (1S,3R)-N-[2-(azocan-1-yl)ethyl]-3-methyl-cyclohexanamine (1S,3R)-N-[2-(azocan-1-yl)ethyl]…

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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) 3.96 9.82 -114.5 3 2 2 21 254.462 4 ↓
Mid Mid (pH 6-8) 3.96 9.08 -38.52 2 2 1 20 253.454 4 ↓

Analogs

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Popular Name: (1S,3S)-N-[2-(azocan-1-yl)ethyl]-3-methyl-cyclohexanamine (1S,3S)-N-[2-(azocan-1-yl)ethyl]…

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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) 3.96 9.36 -115.56 3 2 2 21 254.462 4 ↓
Mid Mid (pH 6-8) 3.96 8.04 -37.19 2 2 1 20 253.454 4 ↓

Analogs

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Popular Name: (1R,3R)-N-[2-(azocan-1-yl)ethyl]-3-methyl-cyclohexanamine (1R,3R)-N-[2-(azocan-1-yl)ethyl]…

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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) 3.96 9.37 -115.51 3 2 2 21 254.462 4 ↓
Mid Mid (pH 6-8) 3.96 8.05 -37.22 2 2 1 20 253.454 4 ↓

Analogs

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Popular Name: (1R,3S)-N-[2-(azocan-1-yl)ethyl]-3-methyl-cyclohexanamine (1R,3S)-N-[2-(azocan-1-yl)ethyl]…

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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) 3.96 9.6 -115.55 3 2 2 21 254.462 4 ↓
Mid Mid (pH 6-8) 3.96 8.28 -37.35 2 2 1 20 253.454 4 ↓

Analogs

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Popular Name: N-[(2S)-2-(azocan-1-yl)propyl]cyclohexanamine N-[(2S)-2-(azocan-1-yl)propyl]cy…

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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 9.6 -112.69 3 2 2 21 254.462 4 ↓
Mid Mid (pH 6-8) 4.28 8.71 -34.74 2 2 1 20 253.454 4 ↓

Analogs

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Popular Name: N-[(2R)-2-(azocan-1-yl)propyl]cyclohexanamine N-[(2R)-2-(azocan-1-yl)propyl]cy…

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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 9.63 -111.29 3 2 2 21 254.462 4 ↓
Mid Mid (pH 6-8) 4.28 8.65 -34.4 2 2 1 20 253.454 4 ↓

Parameters Provided:

ring.id = 46571
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 = 46571 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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