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Popular Name: (1S,2R)-2-[[(2S)-tetrahydrofuran-2-yl]methyl]indan-1-amine (1S,2R)-2-[[(2S)-tetrahydrofuran…

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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) 0.43 5.47 -45.05 3 2 1 37 218.32 2 ↓

Analogs

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Popular Name: (1S,2S)-2-[[(2S)-tetrahydrofuran-2-yl]methyl]indan-1-amine (1S,2S)-2-[[(2S)-tetrahydrofuran…

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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) 0.43 5.24 -40.98 3 2 1 37 218.32 2 ↓

Analogs

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Popular Name: (1R,2R)-2-[[(2S)-tetrahydrofuran-2-yl]methyl]indan-1-amine (1R,2R)-2-[[(2S)-tetrahydrofuran…

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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) 0.43 5.27 -43.81 3 2 1 37 218.32 2 ↓

Analogs

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Popular Name: (1R,2S)-2-[[(2S)-tetrahydrofuran-2-yl]methyl]indan-1-amine (1R,2S)-2-[[(2S)-tetrahydrofuran…

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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) 0.43 5.75 -44.92 3 2 1 37 218.32 2 ↓

Analogs

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Popular Name: (1S,2R)-N-methyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]indan-1-amine (1S,2R)-N-methyl-2-[[(2S)-tetrah…

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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) 2.69 7.27 -39.21 2 2 1 26 232.347 3 ↓

Analogs

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Popular Name: (1R,2R)-N-methyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]indan-1-amine (1R,2R)-N-methyl-2-[[(2S)-tetrah…

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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) 2.69 6.9 -36.15 2 2 1 26 232.347 3 ↓

Analogs

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Popular Name: (1S,2S)-N-methyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]indan-1-amine (1S,2S)-N-methyl-2-[[(2S)-tetrah…

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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) 2.69 7.25 -38.94 2 2 1 26 232.347 3 ↓

Analogs

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Popular Name: (1R,2S)-N-methyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]indan-1-amine (1R,2S)-N-methyl-2-[[(2S)-tetrah…

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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) 2.69 7.38 -40.47 2 2 1 26 232.347 3 ↓

Analogs

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Popular Name: (1S,2R)-N-ethyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]indan-1-amine (1S,2R)-N-ethyl-2-[[(2S)-tetrahy…

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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 8.09 -37.28 2 2 1 26 246.374 4 ↓

Analogs

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Popular Name: (1R,2R)-N-ethyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]indan-1-amine (1R,2R)-N-ethyl-2-[[(2S)-tetrahy…

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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 7.75 -34.61 2 2 1 26 246.374 4 ↓

Analogs

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Popular Name: (1S,2S)-N-ethyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]indan-1-amine (1S,2S)-N-ethyl-2-[[(2S)-tetrahy…

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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 8.09 -37.27 2 2 1 26 246.374 4 ↓

Analogs

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Popular Name: (1R,2S)-N-ethyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]indan-1-amine (1R,2S)-N-ethyl-2-[[(2S)-tetrahy…

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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 8.19 -38.47 2 2 1 26 246.374 4 ↓

Analogs

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Popular Name: (1S,2R)-N-propyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]indan-1-amine (1S,2R)-N-propyl-2-[[(2S)-tetrah…

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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) 3.57 8.85 -37.97 2 2 1 26 260.401 5 ↓

Analogs

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Popular Name: (1R,2R)-N-propyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]indan-1-amine (1R,2R)-N-propyl-2-[[(2S)-tetrah…

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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) 3.57 8.5 -35.23 2 2 1 26 260.401 5 ↓

Analogs

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Popular Name: (1S,2S)-N-propyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]indan-1-amine (1S,2S)-N-propyl-2-[[(2S)-tetrah…

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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) 3.57 8.85 -38.02 2 2 1 26 260.401 5 ↓

Analogs

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Popular Name: (1R,2S)-N-propyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]indan-1-amine (1R,2S)-N-propyl-2-[[(2S)-tetrah…

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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) 3.57 8.96 -38.97 2 2 1 26 260.401 5 ↓

Analogs

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Popular Name: (1S,2R)-2-[[(2S)-tetrahydrofuran-2-yl]methyl]indan-1-ol (1S,2R)-2-[[(2S)-tetrahydrofuran…

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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) 2.13 4.86 -4.36 1 2 0 29 218.296 2 ↓

Analogs

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Popular Name: (1S,2S)-2-[[(2S)-tetrahydrofuran-2-yl]methyl]indan-1-ol (1S,2S)-2-[[(2S)-tetrahydrofuran…

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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) 2.13 4.66 -5.27 1 2 0 29 218.296 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[[(2S)-tetrahydrofuran-2-yl]methyl]indan-1-ol (1R,2R)-2-[[(2S)-tetrahydrofuran…

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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) 2.13 4.69 -6.14 1 2 0 29 218.296 2 ↓

Analogs

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Popular Name: (1R,2S)-2-[[(2S)-tetrahydrofuran-2-yl]methyl]indan-1-ol (1R,2S)-2-[[(2S)-tetrahydrofuran…

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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) 2.13 5.12 -4.64 1 2 0 29 218.296 2 ↓

Analogs

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Popular Name: (2S)-2-[[(1S,2R)-1-chloroindan-2-yl]methyl]tetrahydrofuran (2S)-2-[[(1S,2R)-1-chloroindan-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) 3.51 8.85 -3.5 0 1 0 9 236.742 2 ↓

Analogs

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Popular Name: (2S)-2-[[(1S,2S)-1-chloroindan-2-yl]methyl]tetrahydrofuran (2S)-2-[[(1S,2S)-1-chloroindan-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) 3.51 8.52 -3.81 0 1 0 9 236.742 2 ↓

Analogs

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Popular Name: (2S)-2-[[(1R,2R)-1-chloroindan-2-yl]methyl]tetrahydrofuran (2S)-2-[[(1R,2R)-1-chloroindan-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) 3.51 8.98 -4 0 1 0 9 236.742 2 ↓

Analogs

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Popular Name: (2S)-2-[[(1R,2S)-1-chloroindan-2-yl]methyl]tetrahydrofuran (2S)-2-[[(1R,2S)-1-chloroindan-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) 3.51 8.41 -3.1 0 1 0 9 236.742 2 ↓

Analogs

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Popular Name: (2S)-2-[[(1S,2R)-1-bromoindan-2-yl]methyl]tetrahydrofuran (2S)-2-[[(1S,2R)-1-bromoindan-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) 3.64 8.9 -3.11 0 1 0 9 281.193 2 ↓

Analogs

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Popular Name: (2S)-2-[[(1S,2S)-1-bromoindan-2-yl]methyl]tetrahydrofuran (2S)-2-[[(1S,2S)-1-bromoindan-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) 3.64 8.62 -3.54 0 1 0 9 281.193 2 ↓

Analogs

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Popular Name: (2S)-2-[[(1R,2R)-1-bromoindan-2-yl]methyl]tetrahydrofuran (2S)-2-[[(1R,2R)-1-bromoindan-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) 3.64 9.12 -3.59 0 1 0 9 281.193 2 ↓

Analogs

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Popular Name: (2S)-2-[[(1R,2S)-1-bromoindan-2-yl]methyl]tetrahydrofuran (2S)-2-[[(1R,2S)-1-bromoindan-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) 3.64 8.49 -2.96 0 1 0 9 281.193 2 ↓

Parameters Provided:

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filter.purchasability = annotated
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page.num = 1

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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 = 45196 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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