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

35499150
35499150

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Popular Name: (1S)-1-(5-fluoro-2-methoxy-phenyl)-1-indan-5-yl-N-methyl-methanamine (1S)-1-(5-fluoro-2-methoxy-pheny…

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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) 3.84 9.55 -39.34 2 2 1 26 286.37 4 ↓
Hi High (pH 8-9.5) 3.84 8.57 -4.49 1 2 0 21 285.362 4 ↓

Analogs

35499148
35499148

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Popular Name: (1R)-1-(5-fluoro-2-methoxy-phenyl)-1-indan-5-yl-N-methyl-methanamine (1R)-1-(5-fluoro-2-methoxy-pheny…

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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) 3.84 9.37 -39.03 2 2 1 26 286.37 4 ↓
Hi High (pH 8-9.5) 3.84 8.51 -4.73 1 2 0 21 285.362 4 ↓

Analogs

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Popular Name: (R)-(5-fluoro-2-methyl-phenyl)-indan-5-yl-methanamine (R)-(5-fluoro-2-methyl-phenyl)-i…

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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) 3.86 8.61 -46.81 3 1 1 28 256.344 2 ↓
Mid Mid (pH 6-8) 3.86 8.27 -4.45 2 1 0 26 255.336 2 ↓

Analogs

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Popular Name: (S)-(5-fluoro-2-methyl-phenyl)-indan-5-yl-methanamine (S)-(5-fluoro-2-methyl-phenyl)-i…

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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) 3.86 8.62 -47.7 3 1 1 28 256.344 2 ↓
Mid Mid (pH 6-8) 3.86 8.31 -4.51 2 1 0 26 255.336 2 ↓

Analogs

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Popular Name: (1R)-1-(5-fluoro-2-methyl-phenyl)-1-indan-5-yl-N-methyl-methanamine (1R)-1-(5-fluoro-2-methyl-phenyl…

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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 10.3 -40.54 2 1 1 17 270.371 3 ↓
Hi High (pH 8-9.5) 4.23 9.5 -4 1 1 0 12 269.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-fluoro-2-methyl-phenyl)-1-indan-5-yl-N-methyl-methanamine (1S)-1-(5-fluoro-2-methyl-phenyl…

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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 10.48 -41.27 2 1 1 17 270.371 3 ↓
Hi High (pH 8-9.5) 4.23 9.55 -4.05 1 1 0 12 269.363 3 ↓

Analogs

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Popular Name: N-[(S)-(5-fluoro-2-methyl-phenyl)-indan-5-yl-methyl]ethanamine N-[(S)-(5-fluoro-2-methyl-phenyl…

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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) 4.61 11.3 -39.2 2 1 1 17 284.398 4 ↓
Hi High (pH 8-9.5) 4.61 10.59 -3.81 1 1 0 12 283.39 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(5-fluoro-2-methyl-phenyl)-indan-5-yl-methyl]ethanamine N-[(R)-(5-fluoro-2-methyl-phenyl…

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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) 4.61 11.13 -38.44 2 1 1 17 284.398 4 ↓
Hi High (pH 8-9.5) 4.61 10.32 -3.79 1 1 0 12 283.39 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-fluoro-2-methyl-phenyl)-indan-5-yl-methanol (R)-(5-fluoro-2-methyl-phenyl)-i…

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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) 3.82 8.26 -5.42 1 1 0 20 256.32 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-fluoro-2-methyl-phenyl)-indan-5-yl-methanol (S)-(5-fluoro-2-methyl-phenyl)-i…

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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) 3.82 8.35 -5.46 1 1 0 20 256.32 2 ↓

Analogs

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Popular Name: (S)-indan-5-yl-(3,4,5-trifluorophenyl)methanamine (S)-indan-5-yl-(3,4,5-trifluorop…

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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) 3.66 8.34 -59.3 3 1 1 28 278.297 2 ↓
Hi High (pH 8-9.5) 3.66 8.01 -5.85 2 1 0 26 277.289 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-indan-5-yl-(3,4,5-trifluorophenyl)methanamine (R)-indan-5-yl-(3,4,5-trifluorop…

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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) 3.66 8.34 -59.32 3 1 1 28 278.297 2 ↓
Hi High (pH 8-9.5) 3.66 8.01 -6.17 2 1 0 26 277.289 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-indan-5-yl-N-methyl-1-(3,4,5-trifluorophenyl)methanamine (1S)-1-indan-5-yl-N-methyl-1-(3,…

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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) 4.04 10.12 -52.05 2 1 1 17 292.324 3 ↓
Mid Mid (pH 6-8) 4.04 9.11 -4.84 1 1 0 12 291.316 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-indan-5-yl-N-methyl-1-(3,4,5-trifluorophenyl)methanamine (1R)-1-indan-5-yl-N-methyl-1-(3,…

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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) 4.04 10.12 -51.85 2 1 1 17 292.324 3 ↓
Mid Mid (pH 6-8) 4.04 9.12 -4.99 1 1 0 12 291.316 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-indan-5-yl-(3,4,5-trifluorophenyl)methanol (S)-indan-5-yl-(3,4,5-trifluorop…

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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) 3.62 8.05 -7.08 1 1 0 20 278.273 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-indan-5-yl-(3,4,5-trifluorophenyl)methanol (R)-indan-5-yl-(3,4,5-trifluorop…

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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) 3.62 8.05 -7.13 1 1 0 20 278.273 2 ↓

Analogs

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Popular Name: (R)-(5-bromo-2-ethoxy-phenyl)-indan-5-yl-methanamine (R)-(5-bromo-2-ethoxy-phenyl)-in…

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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) 4.49 9.16 -43.71 3 2 1 37 347.276 4 ↓
Hi High (pH 8-9.5) 4.49 8.83 -4.36 2 2 0 35 346.268 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-bromo-2-ethoxy-phenyl)-indan-5-yl-methanamine (S)-(5-bromo-2-ethoxy-phenyl)-in…

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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) 4.49 9.19 -43.91 3 2 1 37 347.276 4 ↓
Hi High (pH 8-9.5) 4.49 8.86 -4.09 2 2 0 35 346.268 4 ↓

Analogs

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Popular Name: (S)-(5-bromo-2-chloro-phenyl)-indan-5-yl-methanamine (S)-(5-bromo-2-chloro-phenyl)-in…

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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) 4.73 9.09 -45.29 3 1 1 28 337.668 2 ↓
Mid Mid (pH 6-8) 4.73 8.76 -3.14 2 1 0 26 336.66 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-bromo-2-chloro-phenyl)-indan-5-yl-methanamine (R)-(5-bromo-2-chloro-phenyl)-in…

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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) 4.73 9.13 -44.94 3 1 1 28 337.668 2 ↓
Mid Mid (pH 6-8) 4.73 8.8 -3.44 2 1 0 26 336.66 2 ↓

Analogs

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Popular Name: (R)-indan-5-yl-(4-methoxy-3-methyl-phenyl)methanamine (R)-indan-5-yl-(4-methoxy-3-meth…

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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 8.2 -48.63 3 2 1 37 268.38 3 ↓
Hi High (pH 8-9.5) 3.75 7.87 -5.14 2 2 0 35 267.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-indan-5-yl-(4-methoxy-3-methyl-phenyl)methanamine (S)-indan-5-yl-(4-methoxy-3-meth…

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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 8.19 -48.56 3 2 1 37 268.38 3 ↓
Hi High (pH 8-9.5) 3.75 7.87 -5.29 2 2 0 35 267.372 3 ↓

Analogs

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Popular Name: (R)-[2-(difluoromethoxy)phenyl]-indan-5-yl-methanamine (R)-[2-(difluoromethoxy)phenyl]-…

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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) 3.88 7.9 -49.35 3 2 1 37 290.333 4 ↓
Hi High (pH 8-9.5) 3.88 7.57 -7.04 2 2 0 35 289.325 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[2-(difluoromethoxy)phenyl]-indan-5-yl-methanamine (S)-[2-(difluoromethoxy)phenyl]-…

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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) 3.88 7.92 -49.7 3 2 1 37 290.333 4 ↓
Hi High (pH 8-9.5) 3.88 7.6 -6.73 2 2 0 35 289.325 4 ↓

Analogs

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Popular Name: (R)-[3-(difluoromethoxy)phenyl]-indan-5-yl-methanamine (R)-[3-(difluoromethoxy)phenyl]-…

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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) 3.91 7.73 -50.86 3 2 1 37 290.333 4 ↓
Hi High (pH 8-9.5) 3.91 7.4 -6.81 2 2 0 35 289.325 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[3-(difluoromethoxy)phenyl]-indan-5-yl-methanamine (S)-[3-(difluoromethoxy)phenyl]-…

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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) 3.91 7.72 -50.79 3 2 1 37 290.333 4 ↓
Hi High (pH 8-9.5) 3.91 7.4 -6.8 2 2 0 35 289.325 4 ↓

Parameters Provided:

ring.id = 17844
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 = 17844 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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