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Popular Name: (2R)-4-cyclohexyl-1-phenyl-butan-2-amine (2R)-4-cyclohexyl-1-phenyl-butan…

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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) 3.99 8.79 -42.66 3 1 1 28 232.391 5 ↓

Analogs

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Popular Name: (2S)-4-cyclohexyl-1-phenyl-butan-2-amine (2S)-4-cyclohexyl-1-phenyl-butan…

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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) 3.99 8.79 -42.81 3 1 1 28 232.391 5 ↓

Analogs

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Popular Name: (2R)-4-cyclohexyl-1-(3,4-dimethoxyphenyl)butan-2-amine (2R)-4-cyclohexyl-1-(3,4-dimetho…

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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) 3.64 7.98 -50 3 3 1 46 292.443 7 ↓

Analogs

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Popular Name: (2S)-4-cyclohexyl-1-(3,4-dimethoxyphenyl)butan-2-amine (2S)-4-cyclohexyl-1-(3,4-dimetho…

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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) 3.64 7.99 -49.49 3 3 1 46 292.443 7 ↓

Analogs

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Popular Name: (2R)-4-cyclohexyl-1-(2-nitrophenyl)butan-2-amine (2R)-4-cyclohexyl-1-(2-nitrophen…

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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) 3.90 9.1 -50.63 3 4 1 73 277.388 6 ↓

Analogs

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Popular Name: (2S)-4-cyclohexyl-1-(2-nitrophenyl)butan-2-amine (2S)-4-cyclohexyl-1-(2-nitrophen…

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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) 3.90 9.13 -51.95 3 4 1 73 277.388 6 ↓

Analogs

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Popular Name: (2R)-4-cyclohexyl-1-(4-methoxyphenyl)butan-2-amine (2R)-4-cyclohexyl-1-(4-methoxyph…

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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) 4.05 8.09 -46 3 2 1 37 262.417 6 ↓

Analogs

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Popular Name: (2S)-4-cyclohexyl-1-(4-methoxyphenyl)butan-2-amine (2S)-4-cyclohexyl-1-(4-methoxyph…

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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) 4.05 8.09 -45.31 3 2 1 37 262.417 6 ↓

Analogs

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Popular Name: (2R)-4-cyclohexyl-1-(4-nitrophenyl)butan-2-amine (2R)-4-cyclohexyl-1-(4-nitrophen…

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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 9.5 -58.5 3 4 1 73 277.388 6 ↓

Analogs

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Popular Name: (2S)-4-cyclohexyl-1-(4-nitrophenyl)butan-2-amine (2S)-4-cyclohexyl-1-(4-nitrophen…

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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 9.5 -58.68 3 4 1 73 277.388 6 ↓

Analogs

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Popular Name: (2R)-4-cyclohexyl-1-(3-methoxyphenyl)butan-2-amine (2R)-4-cyclohexyl-1-(3-methoxyph…

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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) 4.03 8.09 -45.02 3 2 1 37 262.417 6 ↓

Analogs

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Popular Name: (2S)-4-cyclohexyl-1-(3-methoxyphenyl)butan-2-amine (2S)-4-cyclohexyl-1-(3-methoxyph…

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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) 4.03 8.09 -42.55 3 2 1 37 262.417 6 ↓

Analogs

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Popular Name: (2R)-4-cyclohexyl-1-(2-methoxyphenyl)butan-2-amine (2R)-4-cyclohexyl-1-(2-methoxyph…

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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) 4.00 8.54 -36.93 3 2 1 37 262.417 6 ↓

Analogs

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Popular Name: (2S)-4-cyclohexyl-1-(2-methoxyphenyl)butan-2-amine (2S)-4-cyclohexyl-1-(2-methoxyph…

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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) 4.00 8.12 -42.05 3 2 1 37 262.417 6 ↓

Analogs

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Popular Name: (2S)-4-cyclohexyl-N-methyl-1-(2-nitrophenyl)butan-2-amine (2S)-4-cyclohexyl-N-methyl-1-(2-…

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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) 4.81 10.58 -45.93 2 4 1 62 291.415 7 ↓

Analogs

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Popular Name: (2R)-4-cyclohexyl-N-methyl-1-(2-nitrophenyl)butan-2-amine (2R)-4-cyclohexyl-N-methyl-1-(2-…

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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) 4.81 10.55 -44.77 2 4 1 62 291.415 7 ↓

Analogs

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Popular Name: (2S)-4-cyclohexyl-1-(4-methoxyphenyl)-N-methyl-butan-2-amine (2S)-4-cyclohexyl-1-(4-methoxyph…

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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) 4.96 9.63 -40.36 2 2 1 26 276.444 7 ↓

Analogs

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Popular Name: (2R)-4-cyclohexyl-1-(4-methoxyphenyl)-N-methyl-butan-2-amine (2R)-4-cyclohexyl-1-(4-methoxyph…

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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) 4.96 9.59 -44.37 2 2 1 26 276.444 7 ↓

Analogs

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Popular Name: (2S)-4-cyclohexyl-N-methyl-1-(4-nitrophenyl)butan-2-amine (2S)-4-cyclohexyl-N-methyl-1-(4-…

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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) 4.86 11.05 -53.05 2 4 1 62 291.415 7 ↓

Analogs

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Popular Name: (2R)-4-cyclohexyl-N-methyl-1-(4-nitrophenyl)butan-2-amine (2R)-4-cyclohexyl-N-methyl-1-(4-…

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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) 4.86 11.01 -56.43 2 4 1 62 291.415 7 ↓

Analogs

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Popular Name: (2S)-4-cyclohexyl-1-(3-methoxyphenyl)-N-methyl-butan-2-amine (2S)-4-cyclohexyl-1-(3-methoxyph…

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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) 4.93 9.63 -40.23 2 2 1 26 276.444 7 ↓

Analogs

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Popular Name: (2R)-4-cyclohexyl-1-(3-methoxyphenyl)-N-methyl-butan-2-amine (2R)-4-cyclohexyl-1-(3-methoxyph…

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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) 4.93 9.59 -42.54 2 2 1 26 276.444 7 ↓

Analogs

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Popular Name: (2S)-4-cyclohexyl-1-(2-methoxyphenyl)-N-methyl-butan-2-amine (2S)-4-cyclohexyl-1-(2-methoxyph…

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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) 4.91 9.67 -37.13 2 2 1 26 276.444 7 ↓

Analogs

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Popular Name: (2R)-4-cyclohexyl-1-(2-methoxyphenyl)-N-methyl-butan-2-amine (2R)-4-cyclohexyl-1-(2-methoxyph…

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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) 4.91 9.66 -38.7 2 2 1 26 276.444 7 ↓

Parameters Provided:

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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 = 588095 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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