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Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.15 6.08 -111.35 3 3 2 34 196.294 6 ↓
Hi High (pH 8-9.5) 1.15 2.26 -3.23 1 3 0 28 194.278 6 ↓
Mid Mid (pH 6-8) 1.15 3.64 -39.84 2 3 1 33 195.286 6 ↓

Analogs

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Popular Name: N'-cyclopropyl-N-[(1S)-1-(2-furyl)ethyl]-N'-methyl-ethane-1,2-diamine N'-cyclopropyl-N-[(1S)-1-(2-fury…

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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) 1.71 6.59 -109.68 3 3 2 34 210.321 6 ↓
Mid Mid (pH 6-8) 1.71 4.29 -36.31 2 3 1 33 209.313 6 ↓
Mid Mid (pH 6-8) 1.71 5.38 -33.63 2 3 1 30 209.313 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1R)-1-(2-furyl)ethyl]-N'-methyl-ethane-1,2-diamine N'-cyclopropyl-N-[(1R)-1-(2-fury…

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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) 1.71 6.59 -109.66 3 3 2 34 210.321 6 ↓
Mid Mid (pH 6-8) 1.71 5.39 -34.27 2 3 1 30 209.313 6 ↓
Mid Mid (pH 6-8) 1.71 4.28 -36.35 2 3 1 33 209.313 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-ethyl-N'-(2-furylmethyl)ethane-1,2-diamine N-cyclopropyl-N-ethyl-N'-(2-fury…

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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) 1.52 6.72 -112.1 3 3 2 34 210.321 7 ↓
Mid Mid (pH 6-8) 1.52 5.34 -32.64 2 3 1 30 209.313 7 ↓
Mid Mid (pH 6-8) 1.52 4.34 -40.26 2 3 1 33 209.313 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-ethyl-N'-[(1S)-1-(2-furyl)ethyl]ethane-1,2-diamine N-cyclopropyl-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) 2.08 7.25 -107.58 3 3 2 34 224.348 7 ↓
Hi High (pH 8-9.5) 2.08 3.75 -3.4 1 3 0 28 222.332 7 ↓
Mid Mid (pH 6-8) 2.08 6.05 -33.18 2 3 1 30 223.34 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-ethyl-N'-[(1R)-1-(2-furyl)ethyl]ethane-1,2-diamine N-cyclopropyl-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) 2.08 7.25 -107.64 3 3 2 34 224.348 7 ↓
Hi High (pH 8-9.5) 2.08 3.72 -3.01 1 3 0 28 222.332 7 ↓
Mid Mid (pH 6-8) 2.08 4.93 -37.42 2 3 1 33 223.34 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.03 7.51 -113.78 3 3 2 34 224.348 8 ↓
Mid Mid (pH 6-8) 2.03 5.19 -40.51 2 3 1 33 223.34 8 ↓
Mid Mid (pH 6-8) 2.03 6.14 -33.14 2 3 1 30 223.34 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N'-[(1S)-1-(2-furyl)ethyl]-N-propyl-ethane-1,2-diamine N-cyclopropyl-N'-[(1S)-1-(2-fury…

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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) 2.59 7.98 -109.59 3 3 2 34 238.375 8 ↓
Hi High (pH 8-9.5) 2.59 4.72 -3.08 1 3 0 28 236.359 8 ↓
Mid Mid (pH 6-8) 2.59 6.81 -33.72 2 3 1 30 237.367 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N'-[(1R)-1-(2-furyl)ethyl]-N-propyl-ethane-1,2-diamine N-cyclopropyl-N'-[(1R)-1-(2-fury…

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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) 2.59 7.98 -109.7 3 3 2 34 238.375 8 ↓
Hi High (pH 8-9.5) 2.59 4.72 -2.82 1 3 0 28 236.359 8 ↓
Mid Mid (pH 6-8) 2.59 6.8 -32.85 2 3 1 30 237.367 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.46 4.71 -114.22 4 3 2 46 196.294 6 ↓
Hi High (pH 8-9.5) 1.46 3.41 -36.88 3 3 1 42 195.286 6 ↓
Mid Mid (pH 6-8) 1.46 3.49 -37.34 3 3 1 42 195.286 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1R)-1-(2-furyl)ethyl]ethane-1,2-diamine N'-cyclopropyl-N-[(1R)-1-(2-fury…

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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) 1.46 4.71 -114.16 4 3 2 46 196.294 6 ↓
Hi High (pH 8-9.5) 1.46 3.4 -37.01 3 3 1 42 195.286 6 ↓
Mid Mid (pH 6-8) 1.46 3.52 -38.14 3 3 1 42 195.286 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.08 4.98 -42.05 2 3 1 33 263.283 8 ↓
Hi High (pH 8-9.5) 2.08 3.6 -4.58 1 3 0 28 262.275 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1S)-1-(2-furyl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine N'-cyclopropyl-N-[(1S)-1-(2-fury…

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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) 2.63 5.58 -38.6 2 3 1 33 277.31 8 ↓
Hi High (pH 8-9.5) 2.63 4.37 -4.71 1 3 0 28 276.302 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1R)-1-(2-furyl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine N'-cyclopropyl-N-[(1R)-1-(2-fury…

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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) 2.63 5.59 -38.41 2 3 1 33 277.31 8 ↓
Hi High (pH 8-9.5) 2.63 4.39 -5.28 1 3 0 28 276.302 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-N-cyclopropyl-N'-(2-furylmethyl)ethane-1,2-diamine N-butyl-N-cyclopropyl-N'-(2-fury…

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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) 2.59 8.28 -115.38 3 3 2 34 238.375 9 ↓
Mid Mid (pH 6-8) 2.59 5.97 -40.69 2 3 1 33 237.367 9 ↓
Mid Mid (pH 6-8) 2.59 6.91 -33.81 2 3 1 30 237.367 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-N-cyclopropyl-N'-[(1S)-1-(2-furyl)ethyl]ethane-1,2-diamine N-butyl-N-cyclopropyl-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) 3.15 8.77 -110.87 3 3 2 34 252.402 9 ↓
Hi High (pH 8-9.5) 3.15 5.27 -3.19 1 3 0 28 250.386 9 ↓
Mid Mid (pH 6-8) 3.15 7.58 -34.34 2 3 1 30 251.394 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-N-cyclopropyl-N'-[(1R)-1-(2-furyl)ethyl]ethane-1,2-diamine N-butyl-N-cyclopropyl-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) 3.15 8.76 -110.96 3 3 2 34 252.402 9 ↓
Hi High (pH 8-9.5) 3.15 5.25 -2.75 1 3 0 28 250.386 9 ↓
Mid Mid (pH 6-8) 3.15 6.7 -36.02 2 3 1 33 251.394 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N'-(2-furylmethyl)-N-isobutyl-ethane-1,2-diamine N-cyclopropyl-N'-(2-furylmethyl)…

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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) 2.27 8.14 -114.42 3 3 2 34 238.375 8 ↓
Hi High (pH 8-9.5) 2.27 4.95 -2.74 1 3 0 28 236.359 8 ↓
Mid Mid (pH 6-8) 2.27 6.32 -39.96 2 3 1 33 237.367 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1S)-1-(2-furyl)ethyl]-N'-isobutyl-ethane-1,2-diamine N'-cyclopropyl-N-[(1S)-1-(2-fury…

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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) 2.83 8.67 -110.4 3 3 2 34 252.402 8 ↓
Hi High (pH 8-9.5) 2.83 5.46 -2.66 1 3 0 28 250.386 8 ↓
Mid Mid (pH 6-8) 2.83 6.66 -37.57 2 3 1 33 251.394 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1R)-1-(2-furyl)ethyl]-N'-isobutyl-ethane-1,2-diamine N'-cyclopropyl-N-[(1R)-1-(2-fury…

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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) 2.83 8.66 -110.41 3 3 2 34 252.402 8 ↓
Hi High (pH 8-9.5) 2.83 5.47 -2.89 1 3 0 28 250.386 8 ↓
Mid Mid (pH 6-8) 2.83 6.66 -37.55 2 3 1 33 251.394 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.13 3.9 -38.01 2 4 1 42 239.339 9 ↓
Hi High (pH 8-9.5) 1.13 2.53 -4.03 1 4 0 38 238.331 9 ↓
Mid Mid (pH 6-8) 1.13 5.9 -111.34 3 4 2 43 240.347 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1S)-1-(2-furyl)ethyl]-N'-(2-methoxyethyl)ethane-1,2-diamine N'-cyclopropyl-N-[(1S)-1-(2-fury…

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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) 1.69 4.24 -37.31 2 4 1 42 253.366 9 ↓
Hi High (pH 8-9.5) 1.69 3.05 -4.26 1 4 0 38 252.358 9 ↓
Hi High (pH 8-9.5) 1.69 5.21 -32.07 2 4 1 39 253.366 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1R)-1-(2-furyl)ethyl]-N'-(2-methoxyethyl)ethane-1,2-diamine N'-cyclopropyl-N-[(1R)-1-(2-fury…

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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) 1.69 4.24 -37.32 2 4 1 42 253.366 9 ↓
Hi High (pH 8-9.5) 1.69 5.24 -33.11 2 4 1 39 253.366 9 ↓
Hi High (pH 8-9.5) 1.69 3.07 -4.65 1 4 0 38 252.358 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N2-cyclopropyl-N1-(2-furylmethyl)-N2-methyl-propane-1,2-diamine (2S)-N2-cyclopropyl-N1-(2-furylm…

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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) 1.48 6.58 -107.01 3 3 2 34 210.321 6 ↓
Hi High (pH 8-9.5) 1.48 3.47 -3.1 1 3 0 28 208.305 6 ↓
Mid Mid (pH 6-8) 1.48 4.85 -37.14 2 3 1 33 209.313 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N2-cyclopropyl-N1-(2-furylmethyl)-N2-methyl-propane-1,2-diamine (2R)-N2-cyclopropyl-N1-(2-furylm…

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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) 1.48 6.73 -112.1 3 3 2 34 210.321 6 ↓
Hi High (pH 8-9.5) 1.48 2.92 -3.24 1 3 0 28 208.305 6 ↓
Mid Mid (pH 6-8) 1.48 5.42 -29.58 2 3 1 30 209.313 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N2-cyclopropyl-N2-ethyl-N1-(2-furylmethyl)propane-1,2-diamine (2S)-N2-cyclopropyl-N2-ethyl-N1-…

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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) 1.86 7.34 -111.14 3 3 2 34 224.348 7 ↓
Mid Mid (pH 6-8) 1.86 5.79 -37.77 2 3 1 33 223.34 7 ↓
Mid Mid (pH 6-8) 1.86 5.98 -29.45 2 3 1 30 223.34 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N2-cyclopropyl-N2-ethyl-N1-(2-furylmethyl)propane-1,2-diamine (2R)-N2-cyclopropyl-N2-ethyl-N1-…

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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) 1.86 7.3 -108.1 3 3 2 34 224.348 7 ↓
Mid Mid (pH 6-8) 1.86 5.63 -35.58 2 3 1 33 223.34 7 ↓
Mid Mid (pH 6-8) 1.86 7.08 -29.06 2 3 1 30 223.34 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N2-cyclopropyl-N1-(2-furylmethyl)-N2-propyl-propane-1,2-diamine (2S)-N2-cyclopropyl-N1-(2-furylm…

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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) 2.36 8.09 -112.77 3 3 2 34 238.375 8 ↓
Mid Mid (pH 6-8) 2.36 6.73 -29.72 2 3 1 30 237.367 8 ↓
Mid Mid (pH 6-8) 2.36 6.53 -38.03 2 3 1 33 237.367 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N2-cyclopropyl-N1-(2-furylmethyl)-N2-propyl-propane-1,2-diamine (2R)-N2-cyclopropyl-N1-(2-furylm…

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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) 2.36 8.06 -110.08 3 3 2 34 238.375 8 ↓
Mid Mid (pH 6-8) 2.36 6.38 -35.97 2 3 1 33 237.367 8 ↓
Mid Mid (pH 6-8) 2.36 7.81 -29.47 2 3 1 30 237.367 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N2-cyclopropyl-N1-(2-furylmethyl)propane-1,2-diamine (2S)-N2-cyclopropyl-N1-(2-furylm…

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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) 1.23 5.04 -116.37 4 3 2 46 196.294 6 ↓
Hi High (pH 8-9.5) 1.23 3.88 -40.27 3 3 1 42 195.286 6 ↓
Mid Mid (pH 6-8) 1.23 3.64 -33.55 3 3 1 42 195.286 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N2-cyclopropyl-N1-(2-furylmethyl)propane-1,2-diamine (2R)-N2-cyclopropyl-N1-(2-furylm…

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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) 1.23 5.04 -116.94 4 3 2 46 196.294 6 ↓
Hi High (pH 8-9.5) 1.23 4.04 -36.44 3 3 1 42 195.286 6 ↓
Mid Mid (pH 6-8) 1.23 3.79 -32.34 3 3 1 42 195.286 6 ↓

Analogs

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Popular Name: (2S)-N2-cyclopropyl-N1-(2-furylmethyl)-N2-(2,2,2-trifluoroethyl)propane-1,2-diamine (2S)-N2-cyclopropyl-N1-(2-furylm…

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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 6.01 -42.93 2 3 1 33 277.31 8 ↓
Hi High (pH 8-9.5) 2.40 4.65 -4.95 1 3 0 28 276.302 8 ↓

Analogs

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Popular Name: (2R)-N2-cyclopropyl-N1-(2-furylmethyl)-N2-(2,2,2-trifluoroethyl)propane-1,2-diamine (2R)-N2-cyclopropyl-N1-(2-furylm…

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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 -37.55 2 3 1 33 277.31 8 ↓
Hi High (pH 8-9.5) 2.40 4.43 -4.43 1 3 0 28 276.302 8 ↓

Analogs

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Popular Name: (2S)-N2-butyl-N2-cyclopropyl-N1-(2-furylmethyl)propane-1,2-diamine (2S)-N2-butyl-N2-cyclopropyl-N1-…

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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) 2.92 8.87 -114.36 3 3 2 34 252.402 9 ↓
Mid Mid (pH 6-8) 2.92 7.31 -38.36 2 3 1 33 251.394 9 ↓
Mid Mid (pH 6-8) 2.92 7.5 -30.36 2 3 1 30 251.394 9 ↓

Analogs

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Popular Name: (2R)-N2-butyl-N2-cyclopropyl-N1-(2-furylmethyl)propane-1,2-diamine (2R)-N2-butyl-N2-cyclopropyl-N1-…

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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) 2.92 8.82 -111.29 3 3 2 34 252.402 9 ↓
Mid Mid (pH 6-8) 2.92 7.16 -36.05 2 3 1 33 251.394 9 ↓
Mid Mid (pH 6-8) 2.92 8.58 -29.92 2 3 1 30 251.394 9 ↓

Analogs

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Popular Name: (2S)-N2-cyclopropyl-N1-(2-furylmethyl)-N2-isobutyl-propane-1,2-diamine (2S)-N2-cyclopropyl-N1-(2-furylm…

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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 8.68 -111.8 3 3 2 34 252.402 8 ↓
Hi High (pH 8-9.5) 2.60 6.14 -2.56 1 3 0 28 250.386 8 ↓
Mid Mid (pH 6-8) 2.60 7.18 -37.25 2 3 1 33 251.394 8 ↓

Analogs

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Popular Name: (2R)-N2-cyclopropyl-N1-(2-furylmethyl)-N2-isobutyl-propane-1,2-diamine (2R)-N2-cyclopropyl-N1-(2-furylm…

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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 8.75 -110.02 3 3 2 34 252.402 8 ↓
Hi High (pH 8-9.5) 2.60 5.77 -2.2 1 3 0 28 250.386 8 ↓
Mid Mid (pH 6-8) 2.60 7.42 -36.49 2 3 1 33 251.394 8 ↓

Analogs

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Popular Name: (2S)-N2-cyclopropyl-N1-(2-furylmethyl)-N2-(2-methoxyethyl)propane-1,2-diamine (2S)-N2-cyclopropyl-N1-(2-furylm…

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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) 1.46 4.82 -36.35 2 4 1 42 253.366 9 ↓
Hi High (pH 8-9.5) 1.46 3.44 -4.3 1 4 0 38 252.358 9 ↓
Mid Mid (pH 6-8) 1.46 5.15 -29.73 2 4 1 39 253.366 9 ↓

Analogs

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Popular Name: (2R)-N2-cyclopropyl-N1-(2-furylmethyl)-N2-(2-methoxyethyl)propane-1,2-diamine (2R)-N2-cyclopropyl-N1-(2-furylm…

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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) 1.46 5.09 -34.21 2 4 1 42 253.366 9 ↓
Hi High (pH 8-9.5) 1.46 3.31 -3.13 1 4 0 38 252.358 9 ↓
Mid Mid (pH 6-8) 1.46 6.57 -29.12 2 4 1 39 253.366 9 ↓

Analogs

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Popular Name: (2R)-N1-cyclopropyl-N2,3-dimethyl-N2-[(5-methyl-2-furyl)methyl]butane-1,2-diamine (2R)-N1-cyclopropyl-N2,3-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) 2.48 6.84 -34.74 2 3 1 33 251.394 7 ↓
Hi High (pH 8-9.5) 2.48 6.78 -3.16 1 3 0 28 250.386 7 ↓

Analogs

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Popular Name: (2S)-N1-cyclopropyl-N2,3-dimethyl-N2-[(5-methyl-2-furyl)methyl]butane-1,2-diamine (2S)-N1-cyclopropyl-N2,3-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) 2.48 6.6 -33.6 2 3 1 33 251.394 7 ↓
Hi High (pH 8-9.5) 2.48 5.35 -3.31 1 3 0 28 250.386 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-cyclopropyl-N2-methyl-N2-[(5-methyl-2-furyl)methyl]propane-1,2-diamine (2S)-N1-cyclopropyl-N2-methyl-N2…

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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) 1.70 5.56 -33.67 2 3 1 33 223.34 6 ↓
Hi High (pH 8-9.5) 1.70 4.3 -3.43 1 3 0 28 222.332 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N2-methyl-N2-[(5-methyl-2-furyl)methyl]propane-1,2-diamine (2R)-N1-cyclopropyl-N2-methyl-N2…

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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) 1.70 5.62 -35.19 2 3 1 33 223.34 6 ↓
Hi High (pH 8-9.5) 1.70 3.94 -3.92 1 3 0 28 222.332 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-cyclopropyl-N2-methyl-N2-[(5-methyl-2-furyl)methyl]butane-1,2-diamine (2S)-N1-cyclopropyl-N2-methyl-N2…

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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) 2.24 6.25 -33.53 2 3 1 33 237.367 7 ↓
Hi High (pH 8-9.5) 2.24 4.98 -3.35 1 3 0 28 236.359 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N2-methyl-N2-[(5-methyl-2-furyl)methyl]butane-1,2-diamine (2R)-N1-cyclopropyl-N2-methyl-N2…

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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) 2.24 5.91 -34.24 2 3 1 33 237.367 7 ↓
Hi High (pH 8-9.5) 2.24 6.08 -3.34 1 3 0 28 236.359 7 ↓

Analogs

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Popular Name: (2S)-N1-cyclopropyl-N2-(2-furylmethyl)-N2,3-dimethyl-butane-1,2-diamine (2S)-N1-cyclopropyl-N2-(2-furylm…

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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) 2.26 5.75 -33.76 2 3 1 33 237.367 7 ↓
Hi High (pH 8-9.5) 2.26 4.49 -2.9 1 3 0 28 236.359 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N2-(2-furylmethyl)-N2,3-dimethyl-butane-1,2-diamine (2R)-N1-cyclopropyl-N2-(2-furylm…

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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) 2.26 5.86 -35.48 2 3 1 33 237.367 7 ↓
Hi High (pH 8-9.5) 2.26 6.01 -2.95 1 3 0 28 236.359 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-cyclopropyl-N2-(2-furylmethyl)-N2-methyl-propane-1,2-diamine (2S)-N1-cyclopropyl-N2-(2-furylm…

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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) 1.48 4.75 -33.57 2 3 1 33 209.313 6 ↓
Hi High (pH 8-9.5) 1.48 3.5 -3.12 1 3 0 28 208.305 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N2-(2-furylmethyl)-N2-methyl-propane-1,2-diamine (2R)-N1-cyclopropyl-N2-(2-furylm…

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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) 1.48 4.78 -34.92 2 3 1 33 209.313 6 ↓
Hi High (pH 8-9.5) 1.48 3.1 -3.55 1 3 0 28 208.305 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-cyclopropyl-N2-(2-furylmethyl)-N2-methyl-butane-1,2-diamine (2S)-N1-cyclopropyl-N2-(2-furylm…

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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) 2.02 5.43 -33.53 2 3 1 33 223.34 7 ↓
Mid Mid (pH 6-8) 2.02 7.16 -110.38 3 3 2 34 224.348 7 ↓

Parameters Provided:

ring.id = 53715
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 = 53715 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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