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Analogs

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Popular Name: N'-cyclohexyl-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N'-cyclohexyl-N-ethyl-N-[[(2S)-t…

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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) 2.78 5.19 -36.81 2 3 1 29 255.426 7 ↓
Hi High (pH 8-9.5) 2.78 4.02 -2.87 1 3 0 24 254.418 7 ↓
Mid Mid (pH 6-8) 2.78 7.66 -110.89 3 3 2 30 256.434 7 ↓

Analogs

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Popular Name: N'-cyclohexyl-N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N'-cyclohexyl-N-ethyl-N-[[(2R)-t…

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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) 2.78 5.2 -36.87 2 3 1 29 255.426 7 ↓
Hi High (pH 8-9.5) 2.78 4.04 -2.33 1 3 0 24 254.418 7 ↓
Mid Mid (pH 6-8) 2.78 7.39 -110.11 3 3 2 30 256.434 7 ↓

Analogs

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Popular Name: N'-cyclohexyl-N-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N'-cyclohexyl-N-methyl-N-[[(2S)-…

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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) 2.41 4.57 -36.73 2 3 1 29 241.399 6 ↓
Hi High (pH 8-9.5) 2.41 3.39 -2.94 1 3 0 24 240.391 6 ↓
Lo Low (pH 4.5-6) 2.41 6.98 -111.1 3 3 2 30 242.407 6 ↓

Analogs

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Popular Name: N'-cyclohexyl-N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N'-cyclohexyl-N-methyl-N-[[(2R)-…

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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) 2.41 4.61 -37.01 2 3 1 29 241.399 6 ↓
Hi High (pH 8-9.5) 2.41 3.44 -3.1 1 3 0 24 240.391 6 ↓
Lo Low (pH 4.5-6) 2.41 6.98 -110.11 3 3 2 30 242.407 6 ↓

Analogs

42466487
42466487
42466489
42466489
42471344
42471344
42471347
42471347

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Popular Name: 1,2-ethanediamine, N-cyclohexyl-N-methyl-N'-[(tetrahydro-2-furanyl)methyl]- 1,2-ethanediamine, N-cyclohexyl-…

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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) 2.06 5.52 -32.8 2 3 1 26 241.399 6 ↓
Hi High (pH 8-9.5) 2.06 3.03 -2.68 1 3 0 24 240.391 6 ↓
Mid Mid (pH 6-8) 2.06 4.46 -35.3 2 3 1 29 241.399 6 ↓

Analogs

42466487
42466487
42466489
42466489
42471344
42471344
42471347
42471347

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Popular Name: 1,2-ethanediamine, N-cyclohexyl-N-methyl-N'-[(tetrahydro-2-furanyl)methyl]- 1,2-ethanediamine, N-cyclohexyl-…

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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) 2.06 5.62 -32.05 2 3 1 26 241.399 6 ↓
Hi High (pH 8-9.5) 2.06 3.13 -1.91 1 3 0 24 240.391 6 ↓
Mid Mid (pH 6-8) 2.06 4.47 -35.43 2 3 1 29 241.399 6 ↓

Analogs

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Popular Name: N'-cyclohexyl-N'-methyl-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethane-1,2-diamine N'-cyclohexyl-N'-methyl-N-[(1S)-…

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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) 2.74 7.66 -112.81 3 3 2 30 256.434 6 ↓
Hi High (pH 8-9.5) 2.74 3.93 -2.19 1 3 0 24 254.418 6 ↓
Mid Mid (pH 6-8) 2.74 5.19 -34.76 2 3 1 29 255.426 6 ↓

Analogs

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Popular Name: N'-cyclohexyl-N'-methyl-N-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethane-1,2-diamine N'-cyclohexyl-N'-methyl-N-[(1R)-…

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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) 2.74 7.39 -109.7 3 3 2 30 256.434 6 ↓
Hi High (pH 8-9.5) 2.74 3.72 -1.72 1 3 0 24 254.418 6 ↓
Mid Mid (pH 6-8) 2.74 4.9 -33.8 2 3 1 29 255.426 6 ↓

Analogs

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Popular Name: N'-cyclohexyl-N'-methyl-N-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]ethane-1,2-diamine N'-cyclohexyl-N'-methyl-N-[(1S)-…

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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) 2.74 7.4 -110.32 3 3 2 30 256.434 6 ↓
Hi High (pH 8-9.5) 2.74 3.9 -2.4 1 3 0 24 254.418 6 ↓
Mid Mid (pH 6-8) 2.74 6.15 -33.37 2 3 1 26 255.426 6 ↓

Analogs

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Popular Name: N'-cyclohexyl-N'-methyl-N-[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]ethane-1,2-diamine N'-cyclohexyl-N'-methyl-N-[(1R)-…

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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) 2.74 7.63 -111.48 3 3 2 30 256.434 6 ↓
Hi High (pH 8-9.5) 2.74 4.28 -0.94 1 3 0 24 254.418 6 ↓
Mid Mid (pH 6-8) 2.74 5.16 -34.2 2 3 1 29 255.426 6 ↓

Analogs

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Popular Name: N-cyclohexyl-N-ethyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-cyclohexyl-N-ethyl-N'-[[(2S)-t…

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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) 2.43 5.92 -31.64 2 3 1 26 255.426 7 ↓
Hi High (pH 8-9.5) 2.43 3.89 -2.54 1 3 0 24 254.418 7 ↓
Mid Mid (pH 6-8) 2.43 7.35 -110.8 3 3 2 30 256.434 7 ↓

Analogs

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Popular Name: N-cyclohexyl-N-ethyl-N'-[[(2R)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-cyclohexyl-N-ethyl-N'-[[(2R)-t…

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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) 2.43 5.97 -30.78 2 3 1 26 255.426 7 ↓
Hi High (pH 8-9.5) 2.43 3.97 -1.65 1 3 0 24 254.418 7 ↓
Mid Mid (pH 6-8) 2.43 5.3 -36.21 2 3 1 29 255.426 7 ↓

Analogs

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Popular Name: N-cyclohexyl-N-ethyl-N'-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethane-1,2-diamine N-cyclohexyl-N-ethyl-N'-[(1S)-1-…

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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 8.07 -112.88 3 3 2 30 270.461 7 ↓
Mid Mid (pH 6-8) 3.11 6.06 -35.68 2 3 1 29 269.453 7 ↓
Mid Mid (pH 6-8) 3.11 7.11 -32.66 2 3 1 26 269.453 7 ↓

Analogs

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Popular Name: N-cyclohexyl-N-ethyl-N'-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethane-1,2-diamine N-cyclohexyl-N-ethyl-N'-[(1R)-1-…

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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 7.75 -109.28 3 3 2 30 270.461 7 ↓
Mid Mid (pH 6-8) 3.11 6.52 -31.54 2 3 1 26 269.453 7 ↓
Mid Mid (pH 6-8) 3.11 5.74 -34.73 2 3 1 29 269.453 7 ↓

Analogs

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Popular Name: N-ethyl-N'-(4-methylcyclohexyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-ethyl-N'-(4-methylcyclohexyl)-…

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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) 2.56 5.88 -37.85 2 3 1 29 269.453 7 ↓
Mid Mid (pH 6-8) 2.56 8.08 -111.9 3 3 2 30 270.461 7 ↓

Analogs

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Popular Name: N-ethyl-N'-(4-methylcyclohexyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-ethyl-N'-(4-methylcyclohexyl)-…

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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) 2.56 6.11 -38 2 3 1 29 269.453 7 ↓
Mid Mid (pH 6-8) 2.56 8.43 -113.82 3 3 2 30 270.461 7 ↓

Analogs

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Popular Name: N-ethyl-N'-[(1R,2S)-2-methylcyclohexyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-ethyl-N'-[(1R,2S)-2-methylcycl…

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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) 3.02 5.67 -36.43 2 3 1 29 269.453 7 ↓
Hi High (pH 8-9.5) 3.02 4.66 -2.57 1 3 0 24 268.445 7 ↓
Mid Mid (pH 6-8) 3.02 8.13 -111.71 3 3 2 30 270.461 7 ↓

Analogs

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Popular Name: N-ethyl-N'-[(1S,2S)-2-methylcyclohexyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-ethyl-N'-[(1S,2S)-2-methylcycl…

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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) 3.02 5.86 -35.85 2 3 1 29 269.453 7 ↓
Hi High (pH 8-9.5) 3.02 4.91 -2.49 1 3 0 24 268.445 7 ↓
Mid Mid (pH 6-8) 3.02 8.32 -111.17 3 3 2 30 270.461 7 ↓

Analogs

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Popular Name: N-ethyl-N'-[(1R,3S)-3-methylcyclohexyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-ethyl-N'-[(1R,3S)-3-methylcycl…

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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) 2.79 6.08 -37.55 2 3 1 29 269.453 7 ↓
Hi High (pH 8-9.5) 2.79 4.92 -2.42 1 3 0 24 268.445 7 ↓
Mid Mid (pH 6-8) 2.79 8.29 -111.48 3 3 2 30 270.461 7 ↓

Analogs

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Popular Name: N-ethyl-N'-[(1S,3S)-3-methylcyclohexyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-ethyl-N'-[(1S,3S)-3-methylcycl…

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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) 2.79 5.87 -37.52 2 3 1 29 269.453 7 ↓
Hi High (pH 8-9.5) 2.79 4.71 -2.29 1 3 0 24 268.445 7 ↓
Mid Mid (pH 6-8) 2.79 8.06 -111.56 3 3 2 30 270.461 7 ↓

Analogs

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Popular Name: N-methyl-N-[(1S,3R)-3-methylcyclohexyl]-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-methyl-N-[(1S,3R)-3-methylcycl…

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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) 2.06 6.12 -33.5 2 3 1 26 255.426 6 ↓
Mid Mid (pH 6-8) 2.06 7.54 -111.8 3 3 2 30 256.434 6 ↓
Mid Mid (pH 6-8) 2.06 5.11 -35.47 2 3 1 29 255.426 6 ↓

Analogs

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Popular Name: N-methyl-N-[(1S,3S)-3-methylcyclohexyl]-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-methyl-N-[(1S,3S)-3-methylcycl…

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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) 2.06 5.88 -33.32 2 3 1 26 255.426 6 ↓
Mid Mid (pH 6-8) 2.06 7.3 -111.84 3 3 2 30 256.434 6 ↓
Mid Mid (pH 6-8) 2.06 4.89 -35.6 2 3 1 29 255.426 6 ↓

Analogs

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Popular Name: N-methyl-N-[(1R,3R)-3-methylcyclohexyl]-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-methyl-N-[(1R,3R)-3-methylcycl…

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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) 2.06 5.9 -33.32 2 3 1 26 255.426 6 ↓
Mid Mid (pH 6-8) 2.06 7.32 -111.85 3 3 2 30 256.434 6 ↓
Mid Mid (pH 6-8) 2.06 5.04 -35.64 2 3 1 29 255.426 6 ↓

Analogs

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Popular Name: N-methyl-N-[(1R,3S)-3-methylcyclohexyl]-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-methyl-N-[(1R,3S)-3-methylcycl…

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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) 2.06 6.12 -33.48 2 3 1 26 255.426 6 ↓
Mid Mid (pH 6-8) 2.06 5.28 -35.57 2 3 1 29 255.426 6 ↓
Mid Mid (pH 6-8) 2.06 7.54 -111.79 3 3 2 30 256.434 6 ↓

Analogs

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Popular Name: N-methyl-N-[(1S,3R)-3-methylcyclohexyl]-N'-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethane-1,2-diami N-methyl-N-[(1S,3R)-3-methylcycl…

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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) 2.74 8.28 -113.92 3 3 2 30 270.461 6 ↓
Hi High (pH 8-9.5) 2.74 4.86 -0.83 1 3 0 24 268.445 6 ↓
Mid Mid (pH 6-8) 2.74 5.83 -34.83 2 3 1 29 269.453 6 ↓

Analogs

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Popular Name: N-methyl-N-[(1S,3S)-3-methylcyclohexyl]-N'-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethane-1,2-diami N-methyl-N-[(1S,3S)-3-methylcycl…

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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) 2.74 8.04 -113.93 3 3 2 30 270.461 6 ↓
Hi High (pH 8-9.5) 2.74 4.64 -0.85 1 3 0 24 268.445 6 ↓
Mid Mid (pH 6-8) 2.74 7.06 -34.32 2 3 1 26 269.453 6 ↓

Analogs

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Popular Name: N-methyl-N-[(1R,3R)-3-methylcyclohexyl]-N'-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethane-1,2-diami N-methyl-N-[(1R,3R)-3-methylcycl…

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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) 2.74 8.06 -113.94 3 3 2 30 270.461 6 ↓
Hi High (pH 8-9.5) 2.74 4.79 -0.94 1 3 0 24 268.445 6 ↓
Mid Mid (pH 6-8) 2.74 5.76 -34.89 2 3 1 29 269.453 6 ↓

Analogs

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Popular Name: N-methyl-N-[(1R,3S)-3-methylcyclohexyl]-N'-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethane-1,2-diami N-methyl-N-[(1R,3S)-3-methylcycl…

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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) 2.74 8.28 -113.95 3 3 2 30 270.461 6 ↓
Hi High (pH 8-9.5) 2.74 5.03 -0.96 1 3 0 24 268.445 6 ↓
Mid Mid (pH 6-8) 2.74 7.3 -34.4 2 3 1 26 269.453 6 ↓

Analogs

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Popular Name: N'-methyl-N-(4-methylcyclohexyl)-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N'-methyl-N-(4-methylcyclohexyl)…

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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) 2.18 5.06 -37.35 2 3 1 29 255.426 6 ↓
Lo Low (pH 4.5-6) 2.18 7.38 -111.58 3 3 2 30 256.434 6 ↓

Analogs

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Popular Name: N'-methyl-N-(4-methylcyclohexyl)-N'-[[(2R)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N'-methyl-N-(4-methylcyclohexyl)…

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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) 2.18 5.22 -37.79 2 3 1 29 255.426 6 ↓
Lo Low (pH 4.5-6) 2.18 7.6 -111.16 3 3 2 30 256.434 6 ↓

Analogs

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Popular Name: N'-methyl-N-[(1S,2R)-2-methylcyclohexyl]-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N'-methyl-N-[(1S,2R)-2-methylcyc…

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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 5.05 -36.2 2 3 1 29 255.426 6 ↓
Hi High (pH 8-9.5) 2.65 4.04 -2.57 1 3 0 24 254.418 6 ↓
Lo Low (pH 4.5-6) 2.65 7.45 -111.85 3 3 2 30 256.434 6 ↓

Analogs

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Popular Name: N'-methyl-N-[(1S,2S)-2-methylcyclohexyl]-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N'-methyl-N-[(1S,2S)-2-methylcyc…

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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 5.33 -35.69 2 3 1 29 255.426 6 ↓
Hi High (pH 8-9.5) 2.65 4.17 -2.91 1 3 0 24 254.418 6 ↓
Lo Low (pH 4.5-6) 2.65 7.66 -110.09 3 3 2 30 256.434 6 ↓

Analogs

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Popular Name: N'-methyl-N-[(1R,2R)-2-methylcyclohexyl]-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N'-methyl-N-[(1R,2R)-2-methylcyc…

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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 5.24 -35.78 2 3 1 29 255.426 6 ↓
Hi High (pH 8-9.5) 2.65 4.27 -2.44 1 3 0 24 254.418 6 ↓
Lo Low (pH 4.5-6) 2.65 7.65 -111.29 3 3 2 30 256.434 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-methyl-N-[(1R,2S)-2-methylcyclohexyl]-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N'-methyl-N-[(1R,2S)-2-methylcyc…

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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 5.04 -36.33 2 3 1 29 255.426 6 ↓
Hi High (pH 8-9.5) 2.65 3.99 -2.42 1 3 0 24 254.418 6 ↓
Lo Low (pH 4.5-6) 2.65 7.45 -111.9 3 3 2 30 256.434 6 ↓

Analogs

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Popular Name: N'-methyl-N-[(1S,3R)-3-methylcyclohexyl]-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N'-methyl-N-[(1S,3R)-3-methylcyc…

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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) 2.41 5.26 -37.21 2 3 1 29 255.426 6 ↓
Hi High (pH 8-9.5) 2.41 4.1 -2.87 1 3 0 24 254.418 6 ↓
Lo Low (pH 4.5-6) 2.41 7.59 -111.21 3 3 2 30 256.434 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-methyl-N-[(1S,3S)-3-methylcyclohexyl]-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N'-methyl-N-[(1S,3S)-3-methylcyc…

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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) 2.41 4.94 -37.06 2 3 1 29 255.426 6 ↓
Hi High (pH 8-9.5) 2.41 3.78 -2.6 1 3 0 24 254.418 6 ↓
Lo Low (pH 4.5-6) 2.41 7.35 -112.28 3 3 2 30 256.434 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-methyl-N-[(1R,3R)-3-methylcyclohexyl]-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N'-methyl-N-[(1R,3R)-3-methylcyc…

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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) 2.41 5.04 -37.01 2 3 1 29 255.426 6 ↓
Hi High (pH 8-9.5) 2.41 3.9 -2.73 1 3 0 24 254.418 6 ↓
Lo Low (pH 4.5-6) 2.41 7.36 -111.08 3 3 2 30 256.434 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-methyl-N-[(1R,3S)-3-methylcyclohexyl]-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N'-methyl-N-[(1R,3S)-3-methylcyc…

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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) 2.41 5.16 -37.25 2 3 1 29 255.426 6 ↓
Hi High (pH 8-9.5) 2.41 4.02 -2.5 1 3 0 24 254.418 6 ↓
Lo Low (pH 4.5-6) 2.41 7.56 -112.38 3 3 2 30 256.434 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1S,2R)-2-methylcyclohexyl]-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-methyl-N-[(1S,2R)-2-methylcycl…

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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) 2.30 5.98 -32.3 2 3 1 26 255.426 6 ↓
Mid Mid (pH 6-8) 2.30 7.4 -111.25 3 3 2 30 256.434 6 ↓
Mid Mid (pH 6-8) 2.30 5.51 -35.64 2 3 1 29 255.426 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1S,2S)-2-methylcyclohexyl]-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-methyl-N-[(1S,2S)-2-methylcycl…

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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) 2.30 5.93 -32.34 2 3 1 26 255.426 6 ↓
Mid Mid (pH 6-8) 2.30 7.34 -110.81 3 3 2 30 256.434 6 ↓
Mid Mid (pH 6-8) 2.30 5.5 -36.01 2 3 1 29 255.426 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1R,2R)-2-methylcyclohexyl]-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-methyl-N-[(1R,2R)-2-methylcycl…

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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) 2.30 5.93 -32.26 2 3 1 26 255.426 6 ↓
Mid Mid (pH 6-8) 2.30 5.51 -35.54 2 3 1 29 255.426 6 ↓
Mid Mid (pH 6-8) 2.30 7.36 -111.32 3 3 2 30 256.434 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1R,2S)-2-methylcyclohexyl]-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-methyl-N-[(1R,2S)-2-methylcycl…

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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) 2.30 5.98 -32.62 2 3 1 26 255.426 6 ↓
Mid Mid (pH 6-8) 2.30 5.51 -35.72 2 3 1 29 255.426 6 ↓
Mid Mid (pH 6-8) 2.30 7.4 -111.37 3 3 2 30 256.434 6 ↓

Analogs

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Popular Name: N-methyl-N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethane-1,2-diami N-methyl-N-[(1S,2R)-2-methylcycl…

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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 8.14 -113.61 3 3 2 30 270.461 6 ↓
Hi High (pH 8-9.5) 2.98 5.25 -0.92 1 3 0 24 268.445 6 ↓
Mid Mid (pH 6-8) 2.98 7.15 -33.58 2 3 1 26 269.453 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1S,2S)-2-methylcyclohexyl]-N'-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethane-1,2-diami N-methyl-N-[(1S,2S)-2-methylcycl…

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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 8.1 -113.59 3 3 2 30 270.461 6 ↓
Hi High (pH 8-9.5) 2.98 5.33 -0.65 1 3 0 24 268.445 6 ↓
Mid Mid (pH 6-8) 2.98 7.13 -33.47 2 3 1 26 269.453 6 ↓

Analogs

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Popular Name: N-methyl-N-[(1R,2R)-2-methylcyclohexyl]-N'-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethane-1,2-diami N-methyl-N-[(1R,2R)-2-methylcycl…

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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 8.08 -113.66 3 3 2 30 270.461 6 ↓
Hi High (pH 8-9.5) 2.98 5.26 -0.75 1 3 0 24 268.445 6 ↓
Mid Mid (pH 6-8) 2.98 7.11 -33.46 2 3 1 26 269.453 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1R,2S)-2-methylcyclohexyl]-N'-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethane-1,2-diami N-methyl-N-[(1R,2S)-2-methylcycl…

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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 8.14 -113.41 3 3 2 30 270.461 6 ↓
Hi High (pH 8-9.5) 2.98 5.26 -0.81 1 3 0 24 268.445 6 ↓
Mid Mid (pH 6-8) 2.98 7.16 -33.52 2 3 1 26 269.453 6 ↓

Analogs

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Popular Name: N-methyl-N-(4-methylcyclohexyl)-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-methyl-N-(4-methylcyclohexyl)-…

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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) 1.83 5.9 -33.41 2 3 1 26 255.426 6 ↓
Mid Mid (pH 6-8) 1.83 4.87 -35.35 2 3 1 29 255.426 6 ↓
Mid Mid (pH 6-8) 1.83 7.33 -112.13 3 3 2 30 256.434 6 ↓

Analogs

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Popular Name: N-methyl-N-(4-methylcyclohexyl)-N'-[[(2R)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-methyl-N-(4-methylcyclohexyl)-…

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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) 1.83 6.23 -32.62 2 3 1 26 255.426 6 ↓
Mid Mid (pH 6-8) 1.83 7.56 -111.69 3 3 2 30 256.434 6 ↓
Mid Mid (pH 6-8) 1.83 5.06 -35.58 2 3 1 29 255.426 6 ↓

Analogs

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Popular Name: N-methyl-N-(4-methylcyclohexyl)-N'-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethane-1,2-diamine N-methyl-N-(4-methylcyclohexyl)-…

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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) 2.51 8.06 -114.49 3 3 2 30 270.461 6 ↓
Hi High (pH 8-9.5) 2.51 4.61 -0.94 1 3 0 24 268.445 6 ↓
Mid Mid (pH 6-8) 2.51 7.07 -34.67 2 3 1 26 269.453 6 ↓

Analogs

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Popular Name: N-methyl-N-(4-methylcyclohexyl)-N'-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethane-1,2-diamine N-methyl-N-(4-methylcyclohexyl)-…

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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) 2.51 7.77 -111.33 3 3 2 30 270.461 6 ↓
Hi High (pH 8-9.5) 2.51 4.1 -2.09 1 3 0 24 268.445 6 ↓
Mid Mid (pH 6-8) 2.51 6.56 -33.42 2 3 1 26 269.453 6 ↓

Parameters Provided:

ring.id = 46887
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 = 46887 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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