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Analogs

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Popular Name: (1R)-3-(azocan-1-yl)-1-phenyl-propan-1-ol (1R)-3-(azocan-1-yl)-1-phenyl-pr…

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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) 3.35 7.94 -34.86 2 2 1 25 248.39 4 ↓

Analogs

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Popular Name: (1S)-3-(azocan-1-yl)-1-phenyl-propan-1-ol (1S)-3-(azocan-1-yl)-1-phenyl-pr…

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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) 3.35 7.97 -34.77 2 2 1 25 248.39 4 ↓

Analogs

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Popular Name: (1S)-3-(azocan-1-yl)-N-methyl-1-phenyl-propan-1-amine (1S)-3-(azocan-1-yl)-N-methyl-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) 3.00 9.03 -35.44 2 2 1 16 261.433 5 ↓
Lo Low (pH 4.5-6) 3.00 10.14 -112.78 3 2 2 21 262.441 5 ↓

Analogs

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Popular Name: (1R)-3-(azocan-1-yl)-N-methyl-1-phenyl-propan-1-amine (1R)-3-(azocan-1-yl)-N-methyl-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) 3.00 9.03 -31.8 2 2 1 16 261.433 5 ↓
Lo Low (pH 4.5-6) 3.00 10.16 -113.73 3 2 2 21 262.441 5 ↓

Analogs

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Popular Name: (1S)-3-(azocan-1-yl)-N-ethyl-1-phenyl-propan-1-amine (1S)-3-(azocan-1-yl)-N-ethyl-1-p…

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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) 3.37 9.96 -35.63 2 2 1 16 275.46 6 ↓
Lo Low (pH 4.5-6) 3.37 10.97 -112.02 3 2 2 21 276.468 6 ↓

Analogs

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Popular Name: (1R)-3-(azocan-1-yl)-N-ethyl-1-phenyl-propan-1-amine (1R)-3-(azocan-1-yl)-N-ethyl-1-p…

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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) 3.37 9.97 -31.99 2 2 1 16 275.46 6 ↓
Lo Low (pH 4.5-6) 3.37 10.99 -112.99 3 2 2 21 276.468 6 ↓

Analogs

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Popular Name: (1R)-3-(azocan-1-yl)-1-(4-bromophenyl)propan-1-amine (1R)-3-(azocan-1-yl)-1-(4-bromop…

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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) 2.46 8.72 -38.1 3 2 1 30 326.302 4 ↓
Lo Low (pH 4.5-6) 2.46 9.06 -127.47 4 2 2 32 327.31 4 ↓

Analogs

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Popular Name: (1S)-3-(azocan-1-yl)-1-(4-bromophenyl)propan-1-amine (1S)-3-(azocan-1-yl)-1-(4-bromop…

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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) 2.46 8.75 -34.6 3 2 1 30 326.302 4 ↓
Lo Low (pH 4.5-6) 2.46 9.06 -126.46 4 2 2 32 327.31 4 ↓

Analogs

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Popular Name: (1R)-3-(azocan-1-yl)-1-(3-bromophenyl)propan-1-amine (1R)-3-(azocan-1-yl)-1-(3-bromop…

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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) 2.43 8.71 -37.05 3 2 1 30 326.302 4 ↓
Lo Low (pH 4.5-6) 2.43 9.05 -123.42 4 2 2 32 327.31 4 ↓

Analogs

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Popular Name: (1S)-3-(azocan-1-yl)-1-(3-bromophenyl)propan-1-amine (1S)-3-(azocan-1-yl)-1-(3-bromop…

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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) 2.43 8.74 -33.59 3 2 1 30 326.302 4 ↓
Lo Low (pH 4.5-6) 2.43 9.05 -122.67 4 2 2 32 327.31 4 ↓

Analogs

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Popular Name: (1R)-3-(azocan-1-yl)-1-(p-tolyl)propan-1-amine (1R)-3-(azocan-1-yl)-1-(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) 2.09 8.77 -35.44 3 2 1 30 261.433 4 ↓
Lo Low (pH 4.5-6) 2.09 9.11 -120.29 4 2 2 32 262.441 4 ↓

Analogs

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Popular Name: (1S)-3-(azocan-1-yl)-1-(p-tolyl)propan-1-amine (1S)-3-(azocan-1-yl)-1-(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) 2.09 8.81 -31.71 3 2 1 30 261.433 4 ↓
Lo Low (pH 4.5-6) 2.09 9.11 -119.25 4 2 2 32 262.441 4 ↓

Analogs

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Popular Name: (1R)-3-(azocan-1-yl)-N-methyl-1-(p-tolyl)propan-1-amine (1R)-3-(azocan-1-yl)-N-methyl-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) 3.44 9.72 -35.31 2 2 1 16 275.46 5 ↓
Lo Low (pH 4.5-6) 3.44 10.83 -113.98 3 2 2 21 276.468 5 ↓

Analogs

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Popular Name: (1S)-3-(azocan-1-yl)-N-methyl-1-(p-tolyl)propan-1-amine (1S)-3-(azocan-1-yl)-N-methyl-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) 3.44 9.71 -31.8 2 2 1 16 275.46 5 ↓
Lo Low (pH 4.5-6) 3.44 10.81 -113.02 3 2 2 21 276.468 5 ↓

Analogs

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Popular Name: (1S,2S)-3-(azocan-1-yl)-2-methyl-1-phenyl-propan-1-amine (1S,2S)-3-(azocan-1-yl)-2-methyl…

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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) 2.12 8.59 -34.87 3 2 1 30 261.433 4 ↓
Lo Low (pH 4.5-6) 2.12 8.91 -120.21 4 2 2 32 262.441 4 ↓

Analogs

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Popular Name: (1S,2R)-3-(azocan-1-yl)-2-methyl-1-phenyl-propan-1-amine (1S,2R)-3-(azocan-1-yl)-2-methyl…

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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) 2.12 8.6 -34.99 3 2 1 30 261.433 4 ↓
Lo Low (pH 4.5-6) 2.12 8.92 -117.51 4 2 2 32 262.441 4 ↓

Analogs

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Popular Name: (1R,2S)-3-(azocan-1-yl)-2-methyl-1-phenyl-propan-1-amine (1R,2S)-3-(azocan-1-yl)-2-methyl…

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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) 2.12 8.66 -31.35 3 2 1 30 261.433 4 ↓
Lo Low (pH 4.5-6) 2.12 8.98 -118.78 4 2 2 32 262.441 4 ↓

Analogs

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Popular Name: (1R,2R)-3-(azocan-1-yl)-2-methyl-1-phenyl-propan-1-amine (1R,2R)-3-(azocan-1-yl)-2-methyl…

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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) 2.12 8.64 -31.12 3 2 1 30 261.433 4 ↓
Lo Low (pH 4.5-6) 2.12 8.91 -120.36 4 2 2 32 262.441 4 ↓

Analogs

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Popular Name: (1S,2S)-3-(azocan-1-yl)-N,2-dimethyl-1-phenyl-propan-1-amine (1S,2S)-3-(azocan-1-yl)-N,2-dime…

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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) 4.37 9.64 -30.95 2 2 1 16 275.46 5 ↓
Lo Low (pH 4.5-6) 4.37 10.39 -103.99 3 2 2 21 276.468 5 ↓

Analogs

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Popular Name: (1S,2R)-3-(azocan-1-yl)-N,2-dimethyl-1-phenyl-propan-1-amine (1S,2R)-3-(azocan-1-yl)-N,2-dime…

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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) 4.37 9.74 -31.37 2 2 1 16 275.46 5 ↓
Lo Low (pH 4.5-6) 4.37 10.62 -100.06 3 2 2 21 276.468 5 ↓

Analogs

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Popular Name: (1R,2S)-3-(azocan-1-yl)-N,2-dimethyl-1-phenyl-propan-1-amine (1R,2S)-3-(azocan-1-yl)-N,2-dime…

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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) 4.37 10.04 -35.4 2 2 1 16 275.46 5 ↓
Lo Low (pH 4.5-6) 4.37 10.77 -112.03 3 2 2 21 276.468 5 ↓

Analogs

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Popular Name: (1R,2R)-3-(azocan-1-yl)-N,2-dimethyl-1-phenyl-propan-1-amine (1R,2R)-3-(azocan-1-yl)-N,2-dime…

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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) 4.37 9.53 -34.67 2 2 1 16 275.46 5 ↓
Lo Low (pH 4.5-6) 4.37 10.64 -113.39 3 2 2 21 276.468 5 ↓

Analogs

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Popular Name: (1R)-3-(azocan-1-yl)-2,2-dimethyl-1-phenyl-propan-1-amine (1R)-3-(azocan-1-yl)-2,2-dimethy…

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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) 2.53 8.56 -34.28 3 2 1 30 275.46 4 ↓
Lo Low (pH 4.5-6) 2.53 8.89 -117.04 4 2 2 32 276.468 4 ↓

Analogs

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Popular Name: (1S)-3-(azocan-1-yl)-2,2-dimethyl-1-phenyl-propan-1-amine (1S)-3-(azocan-1-yl)-2,2-dimethy…

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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) 2.53 8.66 -30.34 3 2 1 30 275.46 4 ↓
Lo Low (pH 4.5-6) 2.53 8.95 -116.24 4 2 2 32 276.468 4 ↓

Analogs

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Popular Name: (1R)-3-(azocan-1-yl)-2,2-dimethyl-1-phenyl-propan-1-ol (1R)-3-(azocan-1-yl)-2,2-dimethy…

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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) 4.23 8.58 -33.02 2 2 1 25 276.444 4 ↓

Analogs

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Popular Name: (1S)-3-(azocan-1-yl)-2,2-dimethyl-1-phenyl-propan-1-ol (1S)-3-(azocan-1-yl)-2,2-dimethy…

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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) 4.23 8.6 -32.9 2 2 1 25 276.444 4 ↓

Parameters Provided:

ring.id = 117661
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 = 117661 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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