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Analogs

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Popular Name: N'-cyclohexyl-N-cyclopropyl-N-methyl-ethane-1,2-diamine N'-cyclohexyl-N-cyclopropyl-N-me…

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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) 2.40 7.35 -109.03 3 2 2 21 198.354 5 ↓
Hi High (pH 8-9.5) 2.40 6.18 -30.48 2 2 1 16 197.346 5 ↓
Mid Mid (pH 6-8) 2.40 5.05 -36.05 2 2 1 20 197.346 5 ↓

Analogs

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Popular Name: N'-cyclohexyl-N-cyclopropyl-N-ethyl-ethane-1,2-diamine N'-cyclohexyl-N-cyclopropyl-N-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) 2.77 8.01 -107.31 3 2 2 21 212.381 6 ↓
Hi High (pH 8-9.5) 2.77 6.83 -29.34 2 2 1 16 211.373 6 ↓
Mid Mid (pH 6-8) 2.77 5.92 -35.55 2 2 1 20 211.373 6 ↓

Analogs

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Popular Name: N'-cyclohexyl-N-cyclopropyl-N-propyl-ethane-1,2-diamine N'-cyclohexyl-N-cyclopropyl-N-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) 3.28 8.74 -109.29 3 2 2 21 226.408 7 ↓
Hi High (pH 8-9.5) 3.28 7.59 -29.86 2 2 1 16 225.4 7 ↓
Mid Mid (pH 6-8) 3.28 6.67 -35.77 2 2 1 20 225.4 7 ↓

Analogs

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Popular Name: N-cyclohexyl-N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine N-cyclohexyl-N'-cyclopropyl-N'-(…

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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) 3.32 6.34 -38.33 2 2 1 20 265.343 7 ↓
Hi High (pH 8-9.5) 3.32 5.15 -2.58 1 2 0 15 264.335 7 ↓

Analogs

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Popular Name: N-butyl-N'-cyclohexyl-N-cyclopropyl-ethane-1,2-diamine N-butyl-N'-cyclohexyl-N-cyclopro…

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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 9.51 -110.56 3 2 2 21 240.435 8 ↓
Hi High (pH 8-9.5) 3.84 8.36 -30.48 2 2 1 16 239.427 8 ↓
Mid Mid (pH 6-8) 3.84 7.44 -35.88 2 2 1 20 239.427 8 ↓

Analogs

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Popular Name: N'-cyclohexyl-N-cyclopropyl-N-isobutyl-ethane-1,2-diamine N'-cyclohexyl-N-cyclopropyl-N-is…

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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) 3.52 9.06 -111.27 3 2 2 21 240.435 7 ↓
Hi High (pH 8-9.5) 3.52 8.26 -29.44 2 2 1 16 239.427 7 ↓
Mid Mid (pH 6-8) 3.52 7.52 -36.14 2 2 1 20 239.427 7 ↓

Analogs

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Popular Name: N'-cyclohexyl-N-cyclopropyl-N-(2-methoxyethyl)ethane-1,2-diamine N'-cyclohexyl-N-cyclopropyl-N-(2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.38 4.99 -37.55 2 3 1 29 241.399 8 ↓
Hi High (pH 8-9.5) 2.38 3.83 -2.03 1 3 0 24 240.391 8 ↓
Mid Mid (pH 6-8) 2.38 7.14 -108.25 3 3 2 30 242.407 8 ↓

Analogs

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Popular Name: N'-cyclopropyl-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine N'-cyclopropyl-N'-methyl-N-(4-me…

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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) 2.17 7.74 -110.78 3 2 2 21 212.381 5 ↓
Mid Mid (pH 6-8) 2.17 5.43 -36.87 2 2 1 20 211.373 5 ↓

Analogs

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Popular Name: N'-cyclopropyl-N'-methyl-N-[(1S,2R)-2-methylcyclohexyl]ethane-1,2-diamine N'-cyclopropyl-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) 2.64 7.82 -109.97 3 2 2 21 212.381 5 ↓
Mid Mid (pH 6-8) 2.64 5.52 -35.63 2 2 1 20 211.373 5 ↓

Analogs

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Popular Name: N'-cyclopropyl-N'-methyl-N-[(1S,2S)-2-methylcyclohexyl]ethane-1,2-diamine N'-cyclopropyl-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) 2.64 8.02 -109.34 3 2 2 21 212.381 5 ↓
Mid Mid (pH 6-8) 2.64 5.71 -35.19 2 2 1 20 211.373 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N'-methyl-N-[(1R,2R)-2-methylcyclohexyl]ethane-1,2-diamine N'-cyclopropyl-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) 2.64 8.02 -109.31 3 2 2 21 212.381 5 ↓
Mid Mid (pH 6-8) 2.64 5.71 -35.19 2 2 1 20 211.373 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N'-methyl-N-[(1R,2S)-2-methylcyclohexyl]ethane-1,2-diamine N'-cyclopropyl-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) 2.64 7.82 -109.6 3 2 2 21 212.381 5 ↓
Mid Mid (pH 6-8) 2.64 5.37 -36.5 2 2 1 20 211.373 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N'-methyl-N-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine N'-cyclopropyl-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) 2.40 7.94 -110.36 3 2 2 21 212.381 5 ↓
Mid Mid (pH 6-8) 2.40 5.65 -36.66 2 2 1 20 211.373 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N'-methyl-N-[(1S,3S)-3-methylcyclohexyl]ethane-1,2-diamine N'-cyclopropyl-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) 2.40 7.73 -110.29 3 2 2 21 212.381 5 ↓
Mid Mid (pH 6-8) 2.40 5.42 -36.48 2 2 1 20 211.373 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N'-methyl-N-[(1R,3R)-3-methylcyclohexyl]ethane-1,2-diamine N'-cyclopropyl-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) 2.40 7.71 -109.9 3 2 2 21 212.381 5 ↓
Mid Mid (pH 6-8) 2.40 5.26 -37.32 2 2 1 20 211.373 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N'-methyl-N-[(1R,3S)-3-methylcyclohexyl]ethane-1,2-diamine N'-cyclopropyl-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) 2.40 7.92 -109.93 3 2 2 21 212.381 5 ↓
Mid Mid (pH 6-8) 2.40 5.5 -37.5 2 2 1 20 211.373 5 ↓

Analogs

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Popular Name: N-cyclopropyl-N-ethyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine N-cyclopropyl-N-ethyl-N'-(4-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) 2.55 8.4 -109.02 3 2 2 21 226.408 6 ↓
Mid Mid (pH 6-8) 2.55 6.09 -38.01 2 2 1 20 225.4 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-ethyl-N'-[(1R,2S)-2-methylcyclohexyl]ethane-1,2-diamine N-cyclopropyl-N-ethyl-N'-[(1R,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) 3.02 8.48 -110.23 3 2 2 21 226.408 6 ↓
Mid Mid (pH 6-8) 3.02 6.17 -36.96 2 2 1 20 225.4 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-ethyl-N'-[(1S,2S)-2-methylcyclohexyl]ethane-1,2-diamine N-cyclopropyl-N-ethyl-N'-[(1S,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) 3.02 8.66 -107.32 3 2 2 21 226.408 6 ↓
Mid Mid (pH 6-8) 3.02 6.59 -34.67 2 2 1 20 225.4 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 8.61 -108.63 3 2 2 21 226.408 6 ↓
Mid Mid (pH 6-8) 2.78 6.29 -37.78 2 2 1 20 225.4 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 8.38 -108.56 3 2 2 21 226.408 6 ↓
Mid Mid (pH 6-8) 2.78 6.06 -37.51 2 2 1 20 225.4 6 ↓

Analogs

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Popular Name: N-cyclopropyl-N'-(4-methylcyclohexyl)-N-propyl-ethane-1,2-diamine N-cyclopropyl-N'-(4-methylcycloh…

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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) 3.05 9.14 -111.04 3 2 2 21 240.435 7 ↓
Hi High (pH 8-9.5) 3.05 7.97 -29.84 2 2 1 16 239.427 7 ↓
Mid Mid (pH 6-8) 3.05 7.06 -36.6 2 2 1 20 239.427 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N'-[(1R,2S)-2-methylcyclohexyl]-N-propyl-ethane-1,2-diamine N-cyclopropyl-N'-[(1R,2S)-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) 3.52 9.22 -110.18 3 2 2 21 240.435 7 ↓
Mid Mid (pH 6-8) 3.52 7.15 -35.42 2 2 1 20 239.427 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N'-[(1S,2S)-2-methylcyclohexyl]-N-propyl-ethane-1,2-diamine N-cyclopropyl-N'-[(1S,2S)-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) 3.52 9.4 -109.5 3 2 2 21 240.435 7 ↓
Mid Mid (pH 6-8) 3.52 7.33 -34.92 2 2 1 20 239.427 7 ↓

Analogs

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Popular Name: N-cyclopropyl-N'-[(1R,3S)-3-methylcyclohexyl]-N-propyl-ethane-1,2-diamine N-cyclopropyl-N'-[(1R,3S)-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) 3.28 9.35 -112.27 3 2 2 21 240.435 7 ↓
Mid Mid (pH 6-8) 3.28 7.03 -38.21 2 2 1 20 239.427 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N'-[(1S,3S)-3-methylcyclohexyl]-N-propyl-ethane-1,2-diamine N-cyclopropyl-N'-[(1S,3S)-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) 3.28 9.11 -110.62 3 2 2 21 240.435 7 ↓
Mid Mid (pH 6-8) 3.28 7.03 -36.23 2 2 1 20 239.427 7 ↓

Analogs

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Popular Name: N'-cyclopropyl-N-(4-methylcyclohexyl)ethane-1,2-diamine N'-cyclopropyl-N-(4-methylcycloh…

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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) 1.93 5.85 -115.3 4 2 2 33 198.354 5 ↓
Hi High (pH 8-9.5) 1.93 4.55 -37.43 3 2 1 29 197.346 5 ↓
Hi High (pH 8-9.5) 1.93 4.68 -34.26 3 2 1 29 197.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1S,2R)-2-methylcyclohexyl]ethane-1,2-diamine N'-cyclopropyl-N-[(1S,2R)-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) 2.40 5.94 -114.48 4 2 2 33 198.354 5 ↓
Hi High (pH 8-9.5) 2.40 4.64 -36.21 3 2 1 29 197.346 5 ↓
Hi High (pH 8-9.5) 2.40 4.91 -34.05 3 2 1 29 197.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1S,2S)-2-methylcyclohexyl]ethane-1,2-diamine N'-cyclopropyl-N-[(1S,2S)-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) 2.40 6.13 -113.86 4 2 2 33 198.354 5 ↓
Hi High (pH 8-9.5) 2.40 4.95 -34.15 3 2 1 29 197.346 5 ↓
Hi High (pH 8-9.5) 2.40 4.84 -35.78 3 2 1 29 197.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1R,2R)-2-methylcyclohexyl]ethane-1,2-diamine N'-cyclopropyl-N-[(1R,2R)-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) 2.40 6.13 -113.91 4 2 2 33 198.354 5 ↓
Hi High (pH 8-9.5) 2.40 4.84 -35.74 3 2 1 29 197.346 5 ↓
Hi High (pH 8-9.5) 2.40 5.15 -34.29 3 2 1 29 197.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1R,2S)-2-methylcyclohexyl]ethane-1,2-diamine N'-cyclopropyl-N-[(1R,2S)-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) 2.40 5.94 -114.55 4 2 2 33 198.354 5 ↓
Hi High (pH 8-9.5) 2.40 4.87 -34.28 3 2 1 29 197.346 5 ↓
Hi High (pH 8-9.5) 2.40 4.64 -36.36 3 2 1 29 197.346 5 ↓

Analogs

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Popular Name: N'-cyclopropyl-N-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine N'-cyclopropyl-N-[(1S,3R)-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) 2.16 6.07 -114.87 4 2 2 33 198.354 5 ↓
Hi High (pH 8-9.5) 2.16 4.77 -37.14 3 2 1 29 197.346 5 ↓
Hi High (pH 8-9.5) 2.16 4.88 -34 3 2 1 29 197.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1S,3S)-3-methylcyclohexyl]ethane-1,2-diamine N'-cyclopropyl-N-[(1S,3S)-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) 2.16 5.83 -114.78 4 2 2 33 198.354 5 ↓
Hi High (pH 8-9.5) 2.16 4.53 -37.03 3 2 1 29 197.346 5 ↓
Hi High (pH 8-9.5) 2.16 4.65 -34.09 3 2 1 29 197.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1R,3R)-3-methylcyclohexyl]ethane-1,2-diamine N'-cyclopropyl-N-[(1R,3R)-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) 2.16 5.83 -114.85 4 2 2 33 198.354 5 ↓
Hi High (pH 8-9.5) 2.16 4.53 -37.1 3 2 1 29 197.346 5 ↓
Hi High (pH 8-9.5) 2.16 4.67 -34.25 3 2 1 29 197.346 5 ↓

Analogs

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Popular Name: N'-cyclopropyl-N-[(1R,3S)-3-methylcyclohexyl]ethane-1,2-diamine N'-cyclopropyl-N-[(1R,3S)-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) 2.16 6.06 -114.91 4 2 2 33 198.354 5 ↓
Hi High (pH 8-9.5) 2.16 4.76 -37.26 3 2 1 29 197.346 5 ↓
Hi High (pH 8-9.5) 2.16 4.9 -34.16 3 2 1 29 197.346 5 ↓

Analogs

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Popular Name: N'-cyclopropyl-N-(4-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine N'-cyclopropyl-N-(4-methylcycloh…

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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 6.74 -38.98 2 2 1 20 279.37 7 ↓

Analogs

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Popular Name: N'-cyclopropyl-N-[(1S,2R)-2-methylcyclohexyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine N'-cyclopropyl-N-[(1S,2R)-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) 3.56 6.82 -38.09 2 2 1 20 279.37 7 ↓
Hi High (pH 8-9.5) 3.56 5.79 -2.35 1 2 0 15 278.362 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1S,2S)-2-methylcyclohexyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine N'-cyclopropyl-N-[(1S,2S)-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) 3.56 7.01 -37.38 2 2 1 20 279.37 7 ↓
Hi High (pH 8-9.5) 3.56 5.82 -2.55 1 2 0 15 278.362 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1R,2R)-2-methylcyclohexyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine N'-cyclopropyl-N-[(1R,2R)-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) 3.56 6.89 -38.3 2 2 1 20 279.37 7 ↓
Hi High (pH 8-9.5) 3.56 5.92 -1.62 1 2 0 15 278.362 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1R,2S)-2-methylcyclohexyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine N'-cyclopropyl-N-[(1R,2S)-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) 3.56 6.7 -39.09 2 2 1 20 279.37 7 ↓
Hi High (pH 8-9.5) 3.56 5.63 -1.65 1 2 0 15 278.362 7 ↓

Analogs

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Popular Name: N'-cyclopropyl-N-[(1S,3R)-3-methylcyclohexyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine N'-cyclopropyl-N-[(1S,3R)-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) 3.33 6.93 -38.99 2 2 1 20 279.37 7 ↓
Hi High (pH 8-9.5) 3.33 5.76 -2.55 1 2 0 15 278.362 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1S,3S)-3-methylcyclohexyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine N'-cyclopropyl-N-[(1S,3S)-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) 3.33 6.71 -38.76 2 2 1 20 279.37 7 ↓
Hi High (pH 8-9.5) 3.33 5.53 -2.53 1 2 0 15 278.362 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1R,3R)-3-methylcyclohexyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine N'-cyclopropyl-N-[(1R,3R)-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) 3.33 6.59 -39.7 2 2 1 20 279.37 7 ↓
Hi High (pH 8-9.5) 3.33 5.43 -1.7 1 2 0 15 278.362 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1R,3S)-3-methylcyclohexyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine N'-cyclopropyl-N-[(1R,3S)-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) 3.33 6.94 -38.76 2 2 1 20 279.37 7 ↓
Hi High (pH 8-9.5) 3.33 5.79 -2.38 1 2 0 15 278.362 7 ↓

Analogs

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Popular Name: N-butyl-N-cyclopropyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine N-butyl-N-cyclopropyl-N'-(4-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) 3.61 9.92 -112.31 3 2 2 21 254.462 8 ↓
Hi High (pH 8-9.5) 3.61 8.74 -30.43 2 2 1 16 253.454 8 ↓
Mid Mid (pH 6-8) 3.61 7.85 -36.68 2 2 1 20 253.454 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-N-cyclopropyl-N'-[(1R,2S)-2-methylcyclohexyl]ethane-1,2-diamine N-butyl-N-cyclopropyl-N'-[(1R,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) 4.08 10 -113.44 3 2 2 21 254.462 8 ↓
Mid Mid (pH 6-8) 4.08 7.69 -37.45 2 2 1 20 253.454 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-N-cyclopropyl-N'-[(1S,2S)-2-methylcyclohexyl]ethane-1,2-diamine N-butyl-N-cyclopropyl-N'-[(1S,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) 4.08 10.18 -110.86 3 2 2 21 254.462 8 ↓
Mid Mid (pH 6-8) 4.08 8.11 -35.01 2 2 1 20 253.454 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-N-cyclopropyl-N'-[(1R,3S)-3-methylcyclohexyl]ethane-1,2-diamine N-butyl-N-cyclopropyl-N'-[(1R,3S…

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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 10.11 -111.86 3 2 2 21 254.462 8 ↓
Mid Mid (pH 6-8) 3.84 8.05 -36.44 2 2 1 20 253.454 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-N-cyclopropyl-N'-[(1S,3S)-3-methylcyclohexyl]ethane-1,2-diamine N-butyl-N-cyclopropyl-N'-[(1S,3S…

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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 9.89 -111.88 3 2 2 21 254.462 8 ↓
Mid Mid (pH 6-8) 3.84 7.81 -36.31 2 2 1 20 253.454 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N'-isobutyl-N-(4-methylcyclohexyl)ethane-1,2-diamine N'-cyclopropyl-N'-isobutyl-N-(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) 3.29 9.46 -112.99 3 2 2 21 254.462 7 ↓
Hi High (pH 8-9.5) 3.29 8.67 -29.79 2 2 1 16 253.454 7 ↓
Mid Mid (pH 6-8) 3.29 7.79 -38.18 2 2 1 20 253.454 7 ↓

Parameters Provided:

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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 = 46605 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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