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

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-chloro-4-indan-5-yloxy-phenyl)ethanamine (1S)-1-(3-chloro-4-indan-5-yloxy…

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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) 2.58 8.61 -49.24 3 2 1 37 288.798 3 ↓
Hi High (pH 8-9.5) 2.58 8.29 -5.06 2 2 0 35 287.79 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-chloro-4-indan-5-yloxy-phenyl)ethanamine (1R)-1-(3-chloro-4-indan-5-yloxy…

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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) 2.58 8.61 -49.22 3 2 1 37 288.798 3 ↓
Hi High (pH 8-9.5) 2.58 8.31 -4.44 2 2 0 35 287.79 3 ↓

Analogs

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Popular Name: (1S)-1-(2-fluoro-6-indan-5-yloxy-phenyl)ethanol (1S)-1-(2-fluoro-6-indan-5-yloxy…

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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) 3.74 7.62 -6.55 1 2 0 29 272.319 3 ↓

Analogs

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Popular Name: (1R)-1-(2-fluoro-6-indan-5-yloxy-phenyl)ethanol (1R)-1-(2-fluoro-6-indan-5-yloxy…

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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) 3.74 7.62 -6.6 1 2 0 29 272.319 3 ↓

Analogs

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Popular Name: (1S)-1-(4-indan-5-yloxyphenyl)ethanol (1S)-1-(4-indan-5-yloxyphenyl)et…

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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) 3.67 7.52 -6.5 1 2 0 29 254.329 3 ↓

Analogs

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Popular Name: (1R)-1-(4-indan-5-yloxyphenyl)ethanol (1R)-1-(4-indan-5-yloxyphenyl)et…

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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) 3.67 7.47 -6.49 1 2 0 29 254.329 3 ↓

Analogs

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Popular Name: (1S)-1-(3-fluoro-4-indan-5-yloxy-phenyl)ethanol (1S)-1-(3-fluoro-4-indan-5-yloxy…

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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) 3.77 7.58 -7.1 1 2 0 29 272.319 3 ↓

Analogs

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Popular Name: (1R)-1-(3-fluoro-4-indan-5-yloxy-phenyl)ethanol (1R)-1-(3-fluoro-4-indan-5-yloxy…

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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) 3.77 7.53 -7.15 1 2 0 29 272.319 3 ↓

Analogs

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Popular Name: (1S)-1-(5-fluoro-2-indan-5-yloxy-phenyl)ethanol (1S)-1-(5-fluoro-2-indan-5-yloxy…

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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) 3.77 7.64 -4.29 1 2 0 29 272.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5-fluoro-2-indan-5-yloxy-phenyl)ethanol (1R)-1-(5-fluoro-2-indan-5-yloxy…

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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) 3.77 7.63 -4.26 1 2 0 29 272.319 3 ↓

Analogs

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Popular Name: 2-indan-5-yloxy-5-nitro-aniline 2-indan-5-yloxy-5-nitro-aniline

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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) 3.48 8 -5.86 2 5 0 81 270.288 3 ↓

Analogs

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Popular Name: (5-chloro-2-indan-5-yloxy-phenyl)methanamine (5-chloro-2-indan-5-yloxy-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) 3.90 7.81 -42.76 3 2 1 37 274.771 3 ↓
Mid Mid (pH 6-8) 3.90 7.41 -3.31 2 2 0 35 273.763 3 ↓

Analogs

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Popular Name: 5-chloro-2-indan-5-yloxy-benzamidine 5-chloro-2-indan-5-yloxy-benzami…

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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) 3.10 7.39 -30.29 4 3 1 61 287.77 3 ↓

Analogs

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Popular Name: 5-chloro-N'-hydroxy-2-indan-5-yloxy-benzamidine 5-chloro-N'-hydroxy-2-indan-5-yl…

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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) 3.03 6.21 -7.12 3 4 0 68 302.761 3 ↓

Analogs

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Popular Name: 2-chloro-6-indan-5-yloxy-benzamidine 2-chloro-6-indan-5-yloxy-benzami…

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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) 3.08 7.12 -26.83 4 3 1 61 287.77 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N'-hydroxy-6-indan-5-yloxy-benzamidine 2-chloro-N'-hydroxy-6-indan-5-yl…

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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) 3.01 5.98 -8.92 3 4 0 68 302.761 3 ↓

Analogs

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Popular Name: 2-chloro-6-indan-5-yloxy-benzenecarbothioamide 2-chloro-6-indan-5-yloxy-benzene…

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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 8.98 -12.53 2 2 0 35 303.814 3 ↓

Analogs

34664838
34664838
34664839
34664839
34666211
34666211
34666212
34666212
34666214
34666214

Draw Identity 99% 90% 80% 70%

Popular Name: (2-indan-5-yloxyphenyl)methanamine (2-indan-5-yloxyphenyl)methanamine

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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) 3.25 7.33 -42.13 3 2 1 37 240.326 3 ↓
Hi High (pH 8-9.5) 3.25 6.94 -4.58 2 2 0 35 239.318 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chloro-2-indan-5-yloxy-phenyl)methanamine (4-chloro-2-indan-5-yloxy-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) 3.90 7.82 -44.98 3 2 1 37 274.771 3 ↓
Mid Mid (pH 6-8) 3.90 7.4 -5.14 2 2 0 35 273.763 3 ↓

Analogs

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Popular Name: 4-chloro-2-indan-5-yloxy-benzamidine 4-chloro-2-indan-5-yloxy-benzami…

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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) 3.10 7.39 -32.35 4 3 1 61 287.77 3 ↓

Analogs

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Popular Name: 4-chloro-N'-hydroxy-2-indan-5-yloxy-benzamidine 4-chloro-N'-hydroxy-2-indan-5-yl…

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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) 3.03 6.21 -6.36 3 4 0 68 302.761 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-chloro-4-indan-5-yloxy-phenyl)methanamine (3-chloro-4-indan-5-yloxy-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) 3.90 7.88 -50.24 3 2 1 37 274.771 3 ↓
Hi High (pH 8-9.5) 3.90 7.48 -4.99 2 2 0 35 273.763 3 ↓

Analogs

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Popular Name: 3-chloro-4-indan-5-yloxy-benzamidine 3-chloro-4-indan-5-yloxy-benzami…

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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) 3.10 7.73 -36.32 4 3 1 61 287.77 3 ↓

Analogs

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Popular Name: 3-chloro-N'-hydroxy-4-indan-5-yloxy-benzamidine 3-chloro-N'-hydroxy-4-indan-5-yl…

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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) 3.03 6.47 -8.72 3 4 0 68 302.761 3 ↓

Analogs

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Popular Name: 4-amino-2-indan-5-yloxy-benzoic 4-amino-2-indan-5-yloxy-benzoic

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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) 3.11 8.42 -61.62 2 4 -1 75 268.292 3 ↓

Analogs

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Popular Name: methyl 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) 3.37 8.49 -10.55 2 4 0 62 283.327 4 ↓

Analogs

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Popular Name: 5-fluoro-2-indan-5-yloxy-benzaldehyde 5-fluoro-2-indan-5-yloxy-benzald…

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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 9.09 -5.67 0 2 0 26 256.276 3 ↓

Analogs

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Popular Name: 5-fluoro-2-indan-5-yloxy-benzoic 5-fluoro-2-indan-5-yloxy-benzoic

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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 10.55 -53.68 0 3 -1 49 271.267 3 ↓

Analogs

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Popular Name: (5-fluoro-2-indan-5-yloxy-phenyl)methanol (5-fluoro-2-indan-5-yloxy-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) 3.54 6.84 -5.19 1 2 0 29 258.292 3 ↓

Analogs

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Popular Name: 5-[2-(chloromethyl)-4-fluoro-phenoxy]indane 5-[2-(chloromethyl)-4-fluoro-phe…

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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) 4.78 10.63 -4.16 0 1 0 9 276.738 3 ↓

Analogs

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

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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) 4.14 10.18 -37.59 2 2 1 26 286.37 5 ↓
Hi High (pH 8-9.5) 4.14 8.8 -3.87 1 2 0 21 285.362 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.76 9.31 -38.51 2 2 1 26 272.343 4 ↓
Hi High (pH 8-9.5) 3.76 7.86 -4.03 1 2 0 21 271.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-fluoro-2-indan-5-yloxy-phenyl)methanamine (5-fluoro-2-indan-5-yloxy-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) 3.39 7.37 -43.75 3 2 1 37 258.316 3 ↓
Hi High (pH 8-9.5) 3.39 6.96 -4.41 2 2 0 35 257.308 3 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 3438 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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