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

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Popular Name: 1-cyclopentyl-3-hexyl-1-[(2-methoxyphenyl)methyl]thiourea 1-cyclopentyl-3-hexyl-1-[(2-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) 5.79 13.1 -9.85 1 3 0 24 348.556 11 ↓

Analogs

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Popular Name: 3-butyl-1-cyclopentyl-1-[(2-methoxyphenyl)methyl]thiourea 3-butyl-1-cyclopentyl-1-[(2-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) 4.78 11.54 -9.82 1 3 0 24 320.502 9 ↓

Analogs

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Popular Name: N-[(2-chloro-5-nitro-phenyl)methyl]cyclopentanamine N-[(2-chloro-5-nitro-phenyl)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) 3.46 8.36 -43.26 2 4 1 62 255.725 4 ↓
Hi High (pH 8-9.5) 3.46 7.13 -3.99 1 4 0 58 254.717 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,4-dichlorophenyl)propyl]cyclopentanamine N-[(1S)-1-(2,4-dichlorophenyl)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) 4.34 9.31 -37.76 2 1 1 17 273.227 4 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,4-dichlorophenyl)propyl]cyclopentanamine N-[(1R)-1-(2,4-dichlorophenyl)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) 4.34 9.46 -37.92 2 1 1 17 273.227 4 ↓

Analogs

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Popular Name: 2-[(1R)-1-(cyclopentylamino)ethyl]-4-methyl-phenol 2-[(1R)-1-(cyclopentylamino)ethy…

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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 5.75 -36.12 3 2 1 37 220.336 3 ↓

Analogs

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Popular Name: 2-[(1S)-1-(cyclopentylamino)ethyl]-4-methyl-phenol 2-[(1S)-1-(cyclopentylamino)ethy…

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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 5.51 -36.7 3 2 1 37 220.336 3 ↓

Analogs

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Popular Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]cyclopentanamine N-[[2-(dimethylaminomethyl)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) 2.65 9.18 -110.13 3 2 2 21 234.387 5 ↓
Hi High (pH 8-9.5) 2.65 7.02 -36.47 2 2 1 20 233.379 5 ↓

Analogs

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Popular Name: (1S)-N-cyclopentyl-N',N'-dimethyl-1-phenyl-ethane-1,2-diamine (1S)-N-cyclopentyl-N',N'-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) 3.11 9.44 -119.4 3 2 2 21 234.387 5 ↓
Mid Mid (pH 6-8) 3.11 7.31 -32.69 2 2 1 20 233.379 5 ↓
Mid Mid (pH 6-8) 3.11 8.45 -38.93 2 2 1 16 233.379 5 ↓

Analogs

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Popular Name: (1R)-N-cyclopentyl-N',N'-dimethyl-1-phenyl-ethane-1,2-diamine (1R)-N-cyclopentyl-N',N'-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) 3.11 9.57 -118.88 3 2 2 21 234.387 5 ↓
Mid Mid (pH 6-8) 3.11 7.68 -31.77 2 2 1 20 233.379 5 ↓
Mid Mid (pH 6-8) 3.11 8.6 -33.24 2 2 1 16 233.379 5 ↓

Analogs

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Popular Name: N-[[2-(diethylaminomethyl)phenyl]methyl]cyclopentanamine N-[[2-(diethylaminomethyl)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) 3.40 10.59 -105.45 3 2 2 21 262.441 7 ↓

Analogs

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Popular Name: (1S)-N-cyclopentyl-N-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine (1S)-N-cyclopentyl-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) 3.06 5.8 -45.83 3 3 1 40 277.432 7 ↓
Lo Low (pH 4.5-6) 3.06 7.57 -129.64 4 3 2 41 278.44 7 ↓

Analogs

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Popular Name: (1R)-N-cyclopentyl-N-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine (1R)-N-cyclopentyl-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) 3.06 6.06 -48.58 3 3 1 40 277.432 7 ↓
Lo Low (pH 4.5-6) 3.06 7.94 -126.65 4 3 2 41 278.44 7 ↓

Analogs

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Popular Name: (1S)-N-cyclopentyl-N-ethyl-1-(4-propoxyphenyl)ethane-1,2-diamine (1S)-N-cyclopentyl-N-ethyl-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) 3.44 6.63 -49.52 3 3 1 40 291.459 8 ↓
Mid Mid (pH 6-8) 3.44 8 -122.16 4 3 2 41 292.467 8 ↓

Analogs

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Popular Name: (1R)-N-cyclopentyl-N-ethyl-1-(4-propoxyphenyl)ethane-1,2-diamine (1R)-N-cyclopentyl-N-ethyl-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) 3.44 5.79 -46.74 3 3 1 40 291.459 8 ↓
Mid Mid (pH 6-8) 3.44 8.12 -123.51 4 3 2 41 292.467 8 ↓

Analogs

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Popular Name: (2S)-2-(cyclopentylamino)-2-(4-propoxyphenyl)acetamide (2S)-2-(cyclopentylamino)-2-(4-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) 2.75 4.98 -37.94 4 4 1 69 277.388 7 ↓
Mid Mid (pH 6-8) 2.75 4.01 -7.53 3 4 0 64 276.38 7 ↓

Analogs

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Popular Name: (2R)-2-(cyclopentylamino)-2-(4-propoxyphenyl)acetamide (2R)-2-(cyclopentylamino)-2-(4-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) 2.75 4.86 -38.73 4 4 1 69 277.388 7 ↓
Mid Mid (pH 6-8) 2.75 3.97 -8.18 3 4 0 64 276.38 7 ↓

Analogs

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Popular Name: (2S)-2-(cyclopentylamino)-2-(4-propoxyphenyl)acetic (2S)-2-(cyclopentylamino)-2-(4-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) 3.26 8.88 -31.13 2 4 0 66 277.364 7 ↓

Analogs

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Popular Name: (2R)-2-(cyclopentylamino)-2-(4-propoxyphenyl)acetic (2R)-2-(cyclopentylamino)-2-(4-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) 3.26 8.85 -29.15 2 4 0 66 277.364 7 ↓

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) 3.88 8.89 -36.69 2 4 1 52 292.399 8 ↓
Mid Mid (pH 6-8) 3.88 7.99 -5.12 1 4 0 48 291.391 8 ↓

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) 3.88 8.92 -36.22 2 4 1 52 292.399 8 ↓
Mid Mid (pH 6-8) 3.88 7.83 -6.05 1 4 0 48 291.391 8 ↓

Analogs

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Popular Name: (2S)-2-(cyclopentylamino)-2-(4-propoxyphenyl)ethanol (2S)-2-(cyclopentylamino)-2-(4-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) 3.38 5.73 -36.8 3 3 1 46 264.389 7 ↓

Analogs

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Popular Name: (2R)-2-(cyclopentylamino)-2-(4-propoxyphenyl)ethanol (2R)-2-(cyclopentylamino)-2-(4-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) 3.38 5.63 -37.09 3 3 1 46 264.389 7 ↓

Analogs

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Popular Name: (1S)-N-cyclopentyl-N-methyl-1-(3-propoxyphenyl)ethane-1,2-diamine (1S)-N-cyclopentyl-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) 3.04 5.8 -42.64 3 3 1 40 277.432 7 ↓
Lo Low (pH 4.5-6) 3.04 7.57 -128.17 4 3 2 41 278.44 7 ↓

Analogs

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Popular Name: (1R)-N-cyclopentyl-N-methyl-1-(3-propoxyphenyl)ethane-1,2-diamine (1R)-N-cyclopentyl-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) 3.04 6.06 -46.68 3 3 1 40 277.432 7 ↓
Lo Low (pH 4.5-6) 3.04 7.93 -124.5 4 3 2 41 278.44 7 ↓

Analogs

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Popular Name: (1S)-N-cyclopentyl-N-ethyl-1-(3-propoxyphenyl)ethane-1,2-diamine (1S)-N-cyclopentyl-N-ethyl-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) 3.42 6.63 -47.22 3 3 1 40 291.459 8 ↓
Mid Mid (pH 6-8) 3.42 8 -119.88 4 3 2 41 292.467 8 ↓

Analogs

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Popular Name: (1R)-N-cyclopentyl-N-ethyl-1-(3-propoxyphenyl)ethane-1,2-diamine (1R)-N-cyclopentyl-N-ethyl-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) 3.42 5.8 -45.58 3 3 1 40 291.459 8 ↓
Mid Mid (pH 6-8) 3.42 8.11 -121.99 4 3 2 41 292.467 8 ↓

Analogs

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Popular Name: (2S)-2-(cyclopentylamino)-2-(3-propoxyphenyl)acetamide (2S)-2-(cyclopentylamino)-2-(3-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) 2.72 4.98 -35.54 4 4 1 69 277.388 7 ↓
Mid Mid (pH 6-8) 2.72 4.02 -5.93 3 4 0 64 276.38 7 ↓

Analogs

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Popular Name: (2R)-2-(cyclopentylamino)-2-(3-propoxyphenyl)acetamide (2R)-2-(cyclopentylamino)-2-(3-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) 2.72 4.85 -36.17 4 4 1 69 277.388 7 ↓
Mid Mid (pH 6-8) 2.72 3.97 -6.74 3 4 0 64 276.38 7 ↓

Analogs

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Popular Name: (2S)-2-(cyclopentylamino)-2-(3-propoxyphenyl)acetic (2S)-2-(cyclopentylamino)-2-(3-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) 3.24 8.82 -31.63 2 4 0 66 277.364 7 ↓

Analogs

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Popular Name: (2R)-2-(cyclopentylamino)-2-(3-propoxyphenyl)acetic (2R)-2-(cyclopentylamino)-2-(3-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) 3.24 8.84 -30.12 2 4 0 66 277.364 7 ↓

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) 3.85 8.88 -35.25 2 4 1 52 292.399 8 ↓
Mid Mid (pH 6-8) 3.85 7.98 -4.72 1 4 0 48 291.391 8 ↓

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) 3.85 8.91 -34.71 2 4 1 52 292.399 8 ↓
Mid Mid (pH 6-8) 3.85 7.82 -5.64 1 4 0 48 291.391 8 ↓

Analogs

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Popular Name: (2S)-2-(cyclopentylamino)-2-(3-propoxyphenyl)ethanol (2S)-2-(cyclopentylamino)-2-(3-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) 3.36 5.72 -35.58 3 3 1 46 264.389 7 ↓

Analogs

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Popular Name: (2R)-2-(cyclopentylamino)-2-(3-propoxyphenyl)ethanol (2R)-2-(cyclopentylamino)-2-(3-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) 3.36 5.63 -35.82 3 3 1 46 264.389 7 ↓

Analogs

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Popular Name: (1S,2R)-2-[(3-nitrophenyl)methylamino]cyclopentanol (1S,2R)-2-[(3-nitrophenyl)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) 1.68 5 -47.67 3 5 1 83 237.279 4 ↓
Hi High (pH 8-9.5) 1.68 3.79 -8.22 2 5 0 78 236.271 4 ↓

Analogs

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Popular Name: (1S,2S)-2-[(3-nitrophenyl)methylamino]cyclopentanol (1S,2S)-2-[(3-nitrophenyl)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) 1.68 4.53 -51.97 3 5 1 83 237.279 4 ↓
Hi High (pH 8-9.5) 1.68 3.35 -9.39 2 5 0 78 236.271 4 ↓

Analogs

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Popular Name: (1R,2R)-2-[(3-nitrophenyl)methylamino]cyclopentanol (1R,2R)-2-[(3-nitrophenyl)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) 1.68 4.53 -51.19 3 5 1 83 237.279 4 ↓
Hi High (pH 8-9.5) 1.68 3.32 -7.98 2 5 0 78 236.271 4 ↓

Analogs

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Popular Name: (1R,2S)-2-[(3-nitrophenyl)methylamino]cyclopentanol (1R,2S)-2-[(3-nitrophenyl)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) 1.68 4.89 -47.53 3 5 1 83 237.279 4 ↓
Hi High (pH 8-9.5) 1.68 3.74 -8.31 2 5 0 78 236.271 4 ↓

Analogs

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Popular Name: N-cyclopentyl-N-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine N-cyclopentyl-N-[(2,4,6-trimethy…

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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) 3.42 7.16 -46.55 3 2 1 31 275.46 6 ↓
Mid Mid (pH 6-8) 3.42 8.65 -110.41 4 2 2 32 276.468 6 ↓

Analogs

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Popular Name: 1-(aminomethyl)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentanamine 1-(aminomethyl)-N-methyl-N-[(2,4…

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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) 3.22 6.17 -42.79 3 2 1 31 261.433 4 ↓
Mid Mid (pH 6-8) 3.22 8.18 -121.72 4 2 2 32 262.441 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(aminomethyl)-N-ethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentanamine 1-(aminomethyl)-N-ethyl-N-[(2,4,…

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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) 3.59 6.84 -44.49 3 2 1 31 275.46 5 ↓
Mid Mid (pH 6-8) 3.59 8.67 -117.81 4 2 2 32 276.468 5 ↓

Analogs

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Popular Name: N-cyclopentyl-N-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine N-cyclopentyl-N-[(2,4,6-trimethy…

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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) 3.15 5.79 -47.01 3 2 1 31 261.433 5 ↓
Mid Mid (pH 6-8) 3.15 8.09 -124.35 4 2 2 32 262.441 5 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[(2,4,6-trimethylphenyl)methyl]amino]acetic 2-[cyclopentyl-[(2,4,6-trimethyl…

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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) 2.67 10.82 -32.77 1 3 0 45 275.392 5 ↓
Hi High (pH 8-9.5) 2.67 8.48 -46.58 0 3 -1 43 274.384 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopentyl-[(2,4,6-trimethylphenyl)methyl]amino]ethanol 2-[cyclopentyl-[(2,4,6-trimethyl…

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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) 3.71 8.15 -32.96 2 2 1 25 262.417 5 ↓
Hi High (pH 8-9.5) 3.71 5.75 -2.86 1 2 0 23 261.409 5 ↓

Analogs

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Popular Name: 4-[[allyl(cyclopentyl)amino]methyl]benzamide 4-[[allyl(cyclopentyl)amino]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) 2.60 6.63 -42.54 3 3 1 48 259.373 6 ↓
Hi High (pH 8-9.5) 2.60 4.54 -7.8 2 3 0 46 258.365 6 ↓

Analogs

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Popular Name: (2R)-2-(cyclopentylamino)-2-(2-fluorophenyl)acetonitrile (2R)-2-(cyclopentylamino)-2-(2-f…

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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) 2.98 6.49 -7.67 1 2 0 36 218.275 3 ↓
Lo Low (pH 4.5-6) 2.98 7.61 -47.72 2 2 1 40 219.283 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopentylamino)-2-(2-fluorophenyl)acetonitrile (2S)-2-(cyclopentylamino)-2-(2-f…

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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) 2.98 6.63 -5.43 1 2 0 36 218.275 3 ↓
Lo Low (pH 4.5-6) 2.98 7.68 -46.34 2 2 1 40 219.283 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopentylamino)-2-(4-fluorophenyl)acetonitrile (2R)-2-(cyclopentylamino)-2-(4-f…

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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 6.44 -7.44 1 2 0 36 218.275 3 ↓
Mid Mid (pH 6-8) 3.03 7.55 -51.89 2 2 1 40 219.283 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopentylamino)-2-(4-fluorophenyl)acetonitrile (2S)-2-(cyclopentylamino)-2-(4-f…

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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 6.49 -5.71 1 2 0 36 218.275 3 ↓
Mid Mid (pH 6-8) 3.03 7.64 -50.84 2 2 1 40 219.283 3 ↓

Parameters Provided:

ring.id = 3079
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 = 3079 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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