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

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-N'-methyl-ethane-1,2-diamine N'-cyclopropyl-N-[(1S)-1-cyclopr…

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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 6.81 -106.59 3 2 2 21 184.327 6 ↓
Hi High (pH 8-9.5) 1.69 5.62 -30.5 2 2 1 16 183.319 6 ↓
Mid Mid (pH 6-8) 1.69 4.37 -35.87 2 2 1 20 183.319 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-N'-methyl-ethane-1,2-diamine N'-cyclopropyl-N-[(1R)-1-cyclopr…

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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 6.92 -106.1 3 2 2 21 184.327 6 ↓
Hi High (pH 8-9.5) 1.69 5.75 -30.6 2 2 1 16 183.319 6 ↓
Mid Mid (pH 6-8) 1.69 4.47 -35.52 2 2 1 20 183.319 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.07 7.49 -105.22 3 2 2 21 198.354 7 ↓
Hi High (pH 8-9.5) 2.07 6.32 -29.44 2 2 1 16 197.346 7 ↓
Mid Mid (pH 6-8) 2.07 5.17 -36.07 2 2 1 20 197.346 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.07 7.59 -104.77 3 2 2 21 198.354 7 ↓
Hi High (pH 8-9.5) 2.07 6.4 -29.19 2 2 1 16 197.346 7 ↓
Mid Mid (pH 6-8) 2.07 5.28 -35.83 2 2 1 20 197.346 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N'-[(1S)-1-cyclopropylethyl]-N-propyl-ethane-1,2-diamine N-cyclopropyl-N'-[(1S)-1-cyclopr…

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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) 2.57 8.22 -107.21 3 2 2 21 212.381 8 ↓
Hi High (pH 8-9.5) 2.57 7.06 -29.96 2 2 1 16 211.373 8 ↓
Mid Mid (pH 6-8) 2.57 6.14 -34.79 2 2 1 20 211.373 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N'-[(1R)-1-cyclopropylethyl]-N-propyl-ethane-1,2-diamine N-cyclopropyl-N'-[(1R)-1-cyclopr…

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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) 2.57 8.33 -106.8 3 2 2 21 212.381 8 ↓
Hi High (pH 8-9.5) 2.57 7.15 -29.72 2 2 1 16 211.373 8 ↓
Mid Mid (pH 6-8) 2.57 6.25 -34.49 2 2 1 20 211.373 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1S)-1-cyclopropylethyl]ethane-1,2-diamine N'-cyclopropyl-N-[(1S)-1-cyclopr…

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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) 1.45 4.94 -111.46 4 2 2 33 170.3 6 ↓
Hi High (pH 8-9.5) 1.45 3.65 -35.52 3 2 1 29 169.292 6 ↓
Hi High (pH 8-9.5) 1.45 3.76 -34.1 3 2 1 29 169.292 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1R)-1-cyclopropylethyl]ethane-1,2-diamine N'-cyclopropyl-N-[(1R)-1-cyclopr…

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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) 1.45 5.05 -111.01 4 2 2 33 170.3 6 ↓
Hi High (pH 8-9.5) 1.45 3.75 -35.29 3 2 1 29 169.292 6 ↓
Hi High (pH 8-9.5) 1.45 3.88 -34.22 3 2 1 29 169.292 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine N'-cyclopropyl-N-[(1S)-1-cyclopr…

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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) 2.62 5.82 -37.34 2 2 1 20 251.316 8 ↓
Hi High (pH 8-9.5) 2.62 4.63 -2.64 1 2 0 15 250.308 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine N'-cyclopropyl-N-[(1R)-1-cyclopr…

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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) 2.62 5.93 -36.91 2 2 1 20 251.316 8 ↓
Hi High (pH 8-9.5) 2.62 4.76 -2.71 1 2 0 15 250.308 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-N-cyclopropyl-N'-[(1S)-1-cyclopropylethyl]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) 3.13 8.99 -108.48 3 2 2 21 226.408 9 ↓
Hi High (pH 8-9.5) 3.13 7.83 -30.67 2 2 1 16 225.4 9 ↓
Mid Mid (pH 6-8) 3.13 6.92 -34.89 2 2 1 20 225.4 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-N-cyclopropyl-N'-[(1R)-1-cyclopropylethyl]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) 3.13 9.1 -108.02 3 2 2 21 226.408 9 ↓
Hi High (pH 8-9.5) 3.13 7.92 -30.35 2 2 1 16 225.4 9 ↓
Mid Mid (pH 6-8) 3.13 7.04 -34.55 2 2 1 20 225.4 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-N'-isobutyl-ethane-1,2-diamine N'-cyclopropyl-N-[(1S)-1-cyclopr…

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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) 2.82 8.89 -107.99 3 2 2 21 226.408 8 ↓
Hi High (pH 8-9.5) 2.82 7.36 -29.82 2 2 1 16 225.4 8 ↓
Mid Mid (pH 6-8) 2.82 6.9 -36.3 2 2 1 20 225.4 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-N'-isobutyl-ethane-1,2-diamine N'-cyclopropyl-N-[(1R)-1-cyclopr…

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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) 2.82 9.01 -107.51 3 2 2 21 226.408 8 ↓
Hi High (pH 8-9.5) 2.82 7.48 -29.82 2 2 1 16 225.4 8 ↓
Mid Mid (pH 6-8) 2.82 7 -35.96 2 2 1 20 225.4 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-N'-(2-methoxyethyl)ethane-1,2-diamine N'-cyclopropyl-N-[(1S)-1-cyclopr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.68 4.48 -36.41 2 3 1 29 227.372 9 ↓
Hi High (pH 8-9.5) 1.68 3.31 -2.35 1 3 0 24 226.364 9 ↓
Mid Mid (pH 6-8) 1.68 6.64 -105.94 3 3 2 30 228.38 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-N'-(2-methoxyethyl)ethane-1,2-diamine N'-cyclopropyl-N-[(1R)-1-cyclopr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.68 4.58 -36.16 2 3 1 29 227.372 9 ↓
Hi High (pH 8-9.5) 1.68 3.44 -2.39 1 3 0 24 226.364 9 ↓
Mid Mid (pH 6-8) 1.68 6.74 -105.37 3 3 2 30 228.38 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-cyclopropyl-N2-(cyclopropylmethyl)-N2-isopropyl-3-methyl-butane-1,2-diamine (2S)-N1-cyclopropyl-N2-(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) 3.15 8.74 -107.31 3 2 2 21 240.435 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N2-(cyclopropylmethyl)-N2-isopropyl-3-methyl-butane-1,2-diamine (2R)-N1-cyclopropyl-N2-(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) 3.15 9.58 -100.8 3 2 2 21 240.435 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-cyclopropyl-N2-(cyclopropylmethyl)-N2-isopropyl-propane-1,2-diamine (2S)-N1-cyclopropyl-N2-(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) 2.37 8.05 -103.41 3 2 2 21 212.381 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N2-(cyclopropylmethyl)-N2-isopropyl-propane-1,2-diamine (2R)-N1-cyclopropyl-N2-(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) 2.37 8.17 -103.84 3 2 2 21 212.381 7 ↓

Analogs

43905661
43905661
43905665
43905665
43905669
43905669
43905673
43905673
43906313
43906313

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-cyclopropyl-N2-(cyclopropylmethyl)-N2-isopropyl-butane-1,2-diamine (2S)-N1-cyclopropyl-N2-(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) 2.90 8.51 -103.78 3 2 2 21 226.408 8 ↓

Analogs

43905661
43905661
43905665
43905665
43905669
43905669
43905673
43905673
43906313
43906313

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N2-(cyclopropylmethyl)-N2-isopropyl-butane-1,2-diamine (2R)-N1-cyclopropyl-N2-(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) 2.90 8.95 -104.44 3 2 2 21 226.408 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-cyclopropyl-N2-[(1S)-1-cyclopropylethyl]-N2,3-dimethyl-butane-1,2-diamine (2S)-N1-cyclopropyl-N2-[(1S)-1-c…

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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) 2.80 8.3 -107.52 3 2 2 21 226.408 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N2-[(1S)-1-cyclopropylethyl]-N2,3-dimethyl-butane-1,2-diamine (2R)-N1-cyclopropyl-N2-[(1S)-1-c…

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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) 2.80 8.08 -108.17 3 2 2 21 226.408 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 7.35 -106.82 3 2 2 21 198.354 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N2-[(1S)-1-cyclopropylethyl]-N2-methyl-propane-1,2-diamine (2R)-N1-cyclopropyl-N2-[(1S)-1-c…

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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 7.4 -106.74 3 2 2 21 198.354 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 8 -101.5 3 2 2 21 212.381 7 ↓
Hi High (pH 8-9.5) 2.56 7.11 -28.07 2 2 1 16 211.373 7 ↓
Mid Mid (pH 6-8) 2.56 5.27 -32.42 2 2 1 20 211.373 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N2-[(1S)-1-cyclopropylethyl]-N2-methyl-butane-1,2-diamine (2R)-N1-cyclopropyl-N2-[(1S)-1-c…

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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 8.4 -103.99 3 2 2 21 212.381 7 ↓
Hi High (pH 8-9.5) 2.56 8.09 -27.43 2 2 1 16 211.373 7 ↓
Mid Mid (pH 6-8) 2.56 6.52 -32.95 2 2 1 20 211.373 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-cyclopropyl-N2-(cyclopropylmethyl)-N2,3-dimethyl-butane-1,2-diamine (2S)-N1-cyclopropyl-N2-(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) 2.47 7.96 -109.92 3 2 2 21 212.381 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N2-(cyclopropylmethyl)-N2,3-dimethyl-butane-1,2-diamine (2R)-N1-cyclopropyl-N2-(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) 2.47 8.57 -107.81 3 2 2 21 212.381 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-cyclopropyl-N2-(cyclopropylmethyl)-N2-methyl-propane-1,2-diamine (2S)-N1-cyclopropyl-N2-(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) 1.69 7.07 -108.27 3 2 2 21 184.327 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N2-(cyclopropylmethyl)-N2-methyl-propane-1,2-diamine (2R)-N1-cyclopropyl-N2-(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) 1.69 7.13 -109.15 3 2 2 21 184.327 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-cyclopropyl-N2-(cyclopropylmethyl)-N2-methyl-butane-1,2-diamine (2S)-N1-cyclopropyl-N2-(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) 2.23 7.6 -109.65 3 2 2 21 198.354 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N2-(cyclopropylmethyl)-N2-methyl-butane-1,2-diamine (2R)-N1-cyclopropyl-N2-(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) 2.23 8.09 -107.44 3 2 2 21 198.354 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N2-(cyclopropylmethyl)-3-methyl-N2-propyl-butane-1,2-diamine (2R)-N1-cyclopropyl-N2-(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) 3.35 9.94 -104.86 3 2 2 21 240.435 9 ↓

Analogs

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Popular Name: (2S)-N1-cyclopropyl-N2-(cyclopropylmethyl)-3-methyl-N2-propyl-butane-1,2-diamine (2S)-N1-cyclopropyl-N2-(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) 3.35 9.37 -109.84 3 2 2 21 240.435 9 ↓

Analogs

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Popular Name: (2S)-N1-cyclopropyl-N2-(cyclopropylmethyl)-N2-propyl-propane-1,2-diamine (2S)-N1-cyclopropyl-N2-(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) 2.57 8.52 -109.28 3 2 2 21 212.381 8 ↓

Analogs

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Popular Name: (2R)-N1-cyclopropyl-N2-(cyclopropylmethyl)-N2-propyl-propane-1,2-diamine (2R)-N1-cyclopropyl-N2-(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) 2.57 8.66 -105.97 3 2 2 21 212.381 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-cyclopropyl-N2-(cyclopropylmethyl)-N2-propyl-butane-1,2-diamine (2S)-N1-cyclopropyl-N2-(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) 3.11 8.78 -110.08 3 2 2 21 226.408 9 ↓
Hi High (pH 8-9.5) 3.11 7.48 -29.59 2 2 1 16 225.4 9 ↓
Mid Mid (pH 6-8) 3.11 7.41 -32.39 2 2 1 20 225.4 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N2-(cyclopropylmethyl)-N2-propyl-butane-1,2-diamine (2R)-N1-cyclopropyl-N2-(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) 3.11 9.48 -106.79 3 2 2 21 226.408 9 ↓
Hi High (pH 8-9.5) 3.11 9.13 -27.52 2 2 1 16 225.4 9 ↓
Mid Mid (pH 6-8) 3.11 7.17 -32.92 2 2 1 20 225.4 9 ↓

Analogs

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Popular Name: (2S)-N1-cyclopropyl-N2-[(1S)-1-cyclopropylethyl]-N2-(2-methoxyethyl)-3-methyl-butane-1,2-diamine (2S)-N1-cyclopropyl-N2-[(1S)-1-c…

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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 6.59 -31.54 2 3 1 29 269.453 10 ↓
Hi High (pH 8-9.5) 2.79 5.02 -1.02 1 3 0 24 268.445 10 ↓
Mid Mid (pH 6-8) 2.79 7.76 -101.15 3 3 2 30 270.461 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N2-[(1S)-1-cyclopropylethyl]-N2-(2-methoxyethyl)-3-methyl-butane-1,2-diamine (2R)-N1-cyclopropyl-N2-[(1S)-1-c…

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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 7.43 -29.33 2 3 1 29 269.453 10 ↓
Hi High (pH 8-9.5) 2.79 4.74 -0.91 1 3 0 24 268.445 10 ↓
Mid Mid (pH 6-8) 2.79 8.59 -105.13 3 3 2 30 270.461 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-cyclopropyl-N2-[(1S)-1-cyclopropylethyl]-N2-(2-methoxyethyl)propane-1,2-diamine (2S)-N1-cyclopropyl-N2-[(1S)-1-c…

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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) 2.01 5.27 -29.97 2 3 1 29 241.399 9 ↓
Hi High (pH 8-9.5) 2.01 3.99 -1.45 1 3 0 24 240.391 9 ↓
Mid Mid (pH 6-8) 2.01 6.98 -100.81 3 3 2 30 242.407 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N2-[(1S)-1-cyclopropylethyl]-N2-(2-methoxyethyl)propane-1,2-diamine (2R)-N1-cyclopropyl-N2-[(1S)-1-c…

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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) 2.01 5.43 -33.83 2 3 1 29 241.399 9 ↓
Hi High (pH 8-9.5) 2.01 3.75 -1.13 1 3 0 24 240.391 9 ↓
Mid Mid (pH 6-8) 2.01 7.1 -108.78 3 3 2 30 242.407 9 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]propanamide (2S)-2-(cyclopropylamino)-3-[cyc…

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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) 1.02 4.09 -39.71 4 4 1 60 226.344 8 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]propanamide (2R)-2-(cyclopropylamino)-3-[cyc…

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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) 1.02 3.1 -44.78 4 4 1 60 226.344 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-cyclopropyl-N2-(cyclopropylmethyl)-N2-ethyl-butane-1,2-diamine (2S)-N1-cyclopropyl-N2-(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) 2.60 8.14 -108.38 3 2 2 21 212.381 8 ↓
Hi High (pH 8-9.5) 2.60 6.84 -29.27 2 2 1 16 211.373 8 ↓
Mid Mid (pH 6-8) 2.60 6.66 -31.94 2 2 1 20 211.373 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N2-(cyclopropylmethyl)-N2-ethyl-butane-1,2-diamine (2R)-N1-cyclopropyl-N2-(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) 2.60 8.74 -105.32 3 2 2 21 212.381 8 ↓
Hi High (pH 8-9.5) 2.60 8.39 -27.08 2 2 1 16 211.373 8 ↓
Mid Mid (pH 6-8) 2.60 6.71 -32.36 2 2 1 20 211.373 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-cyclopropyl-N2-(cyclopropylmethyl)-N2-ethyl-propane-1,2-diamine (2S)-N1-cyclopropyl-N2-(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) 2.07 7.76 -106.66 3 2 2 21 198.354 7 ↓
Hi High (pH 8-9.5) 2.07 6.45 -29.46 2 2 1 16 197.346 7 ↓
Mid Mid (pH 6-8) 2.07 5.86 -31.1 2 2 1 20 197.346 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N2-(cyclopropylmethyl)-N2-ethyl-propane-1,2-diamine (2R)-N1-cyclopropyl-N2-(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) 2.07 7.92 -104.31 3 2 2 21 198.354 7 ↓
Hi High (pH 8-9.5) 2.07 7.6 -27.84 2 2 1 16 197.346 7 ↓
Mid Mid (pH 6-8) 2.07 5.89 -32.2 2 2 1 20 197.346 7 ↓

Parameters Provided:

ring.id = 53748
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 = 53748 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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