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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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 8.78 -37.15 2 4 1 43 283.436 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-[cyclopropylmethyl(propyl)amino]butanamide (2S)-2-(cyclopropylamino)-4-[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) 1.79 4.5 -41.34 4 4 1 60 254.398 10 ↓
Lo Low (pH 4.5-6) 1.79 5.41 -111.1 5 4 2 64 255.406 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-[cyclopropylmethyl(propyl)amino]butanamide (2R)-2-(cyclopropylamino)-4-[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) 1.79 4.27 -45.32 4 4 1 60 254.398 10 ↓
Lo Low (pH 4.5-6) 1.79 5.28 -110.12 5 4 2 64 255.406 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-[cyclopropylmethyl(propyl)amino]butanoic (2S)-2-(cyclopropylamino)-4-[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) 0.29 9.2 -74.66 3 4 1 61 255.382 10 ↓
Hi High (pH 8-9.5) 0.29 7.11 -30.94 2 4 0 60 254.374 10 ↓
Mid Mid (pH 6-8) 0.29 8.34 -48.42 2 4 0 57 254.374 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-[cyclopropylmethyl(propyl)amino]butanoic (2R)-2-(cyclopropylamino)-4-[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) 0.29 9.26 -77.75 3 4 1 61 255.382 10 ↓
Hi High (pH 8-9.5) 0.29 6.87 -32.38 2 4 0 60 254.374 10 ↓
Mid Mid (pH 6-8) 0.29 8.28 -55.65 2 4 0 57 254.374 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.36 7.76 -42.69 2 4 1 43 269.409 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.36 7.85 -37.43 2 4 1 43 269.409 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-[[(1S)-1-cyclopropylethyl]-(2-methoxyethyl)amino]butanamide (2S)-2-(cyclopropylamino)-4-[[(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) 1.23 3.09 -38.84 4 5 1 69 284.424 11 ↓
Hi High (pH 8-9.5) 1.23 1.09 -6.73 3 5 0 68 283.416 11 ↓
Lo Low (pH 4.5-6) 1.23 4.04 -110.58 5 5 2 73 285.432 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-[[(1R)-1-cyclopropylethyl]-(2-methoxyethyl)amino]butanamide (2S)-2-(cyclopropylamino)-4-[[(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) 1.23 2.87 -38.19 4 5 1 69 284.424 11 ↓
Hi High (pH 8-9.5) 1.23 1.01 -6.22 3 5 0 68 283.416 11 ↓
Lo Low (pH 4.5-6) 1.23 3.81 -108.28 5 5 2 73 285.432 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-[[(1S)-1-cyclopropylethyl]-(2-methoxyethyl)amino]butanoic (2S)-2-(cyclopropylamino)-4-[[(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) -0.28 7.87 -75.07 3 5 1 70 285.408 11 ↓
Mid Mid (pH 6-8) -0.28 5.81 -33.2 2 5 0 69 284.4 11 ↓
Mid Mid (pH 6-8) -0.28 6.99 -46.77 2 5 0 66 284.4 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-[[(1R)-1-cyclopropylethyl]-(2-methoxyethyl)amino]butanoic (2S)-2-(cyclopropylamino)-4-[[(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) -0.28 7.64 -72.64 3 5 1 70 285.408 11 ↓
Mid Mid (pH 6-8) -0.28 6.77 -46.58 2 5 0 66 284.4 11 ↓
Mid Mid (pH 6-8) -0.28 5.78 -35.53 2 5 0 69 284.4 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.80 7.05 -35.46 2 5 1 52 299.435 12 ↓
Hi High (pH 8-9.5) 1.80 5.05 -4.14 1 5 0 51 298.427 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.80 6.83 -34.57 2 5 1 52 299.435 12 ↓
Hi High (pH 8-9.5) 1.80 4.97 -4.43 1 5 0 51 298.427 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 2.53 7.98 -36.01 2 4 1 43 283.436 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 2.53 7.85 -41.15 2 4 1 43 283.436 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-[cyclopropylmethyl(isopropyl)amino]butanamide (2S)-2-(cyclopropylamino)-4-[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) 1.59 3.61 -40.39 4 4 1 60 254.398 9 ↓
Lo Low (pH 4.5-6) 1.59 4.57 -112.26 5 4 2 64 255.406 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-[cyclopropylmethyl(isopropyl)amino]butanamide (2R)-2-(cyclopropylamino)-4-[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) 1.59 3.56 -45.69 4 4 1 60 254.398 9 ↓
Lo Low (pH 4.5-6) 1.59 4.58 -112.39 5 4 2 64 255.406 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-[cyclopropylmethyl(isopropyl)amino]butanoic (2S)-2-(cyclopropylamino)-4-[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) 0.08 8.69 -76.94 3 4 1 61 255.382 9 ↓
Hi High (pH 8-9.5) 0.08 6.87 -33.43 2 4 0 60 254.374 9 ↓
Mid Mid (pH 6-8) 0.08 7.79 -46.47 2 4 0 57 254.374 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-[cyclopropylmethyl(isopropyl)amino]butanoic (2R)-2-(cyclopropylamino)-4-[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) 0.08 8.5 -78.41 3 4 1 61 255.382 9 ↓
Hi High (pH 8-9.5) 0.08 6.5 -33.35 2 4 0 60 254.374 9 ↓
Mid Mid (pH 6-8) 0.08 7.42 -55.49 2 4 0 57 254.374 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.16 7.88 -35.78 2 4 1 43 269.409 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.16 7.54 -42.02 2 4 1 43 269.409 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-N'-(cyclopropylmethyl)-N'-isopropyl-2-methyl-propane-1,3-diamine (2S)-N-cyclopropyl-N'-(cycloprop…

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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 8.76 -96.24 3 2 2 21 226.408 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-N'-(cyclopropylmethyl)-N'-isopropyl-2-methyl-propane-1,3-diamine (2R)-N-cyclopropyl-N'-(cycloprop…

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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 8.59 -96.21 3 2 2 21 226.408 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N1-cyclopropyl-N3-(cyclopropylmethyl)-N3-isopropyl-butane-1,3-diamine (3S)-N1-cyclopropyl-N3-(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) 2.64 8.41 -99.67 3 2 2 21 226.408 8 ↓
Hi High (pH 8-9.5) 2.64 7.11 -28.68 2 2 1 16 225.4 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N1-cyclopropyl-N3-(cyclopropylmethyl)-N3-isopropyl-butane-1,3-diamine (3R)-N1-cyclopropyl-N3-(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) 2.64 8.57 -98.73 3 2 2 21 226.408 8 ↓
Hi High (pH 8-9.5) 2.64 7.28 -29.36 2 2 1 16 225.4 8 ↓

Analogs

43894823
43894823
43894824
43894824
43895049
43895049
43895051
43895051
43895226
43895226

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-N'-[(1S)-1-cyclopropylethyl]-N',2-dimethyl-propane-1,3-diamine (2S)-N-cyclopropyl-N'-[(1S)-1-cy…

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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) 2.44 8.07 -96.6 3 2 2 21 212.381 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-N'-[(1S)-1-cyclopropylethyl]-N',2-dimethyl-propane-1,3-diamine (2R)-N-cyclopropyl-N'-[(1S)-1-cy…

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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) 2.44 8.24 -99.52 3 2 2 21 212.381 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N1-cyclopropyl-N3-[(1S)-1-cyclopropylethyl]-N3-methyl-butane-1,3-diamine (3S)-N1-cyclopropyl-N3-[(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) 2.29 7.84 -99.79 3 2 2 21 212.381 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N1-cyclopropyl-N3-[(1S)-1-cyclopropylethyl]-N3-methyl-butane-1,3-diamine (3R)-N1-cyclopropyl-N3-[(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) 2.29 7.91 -99.8 3 2 2 21 212.381 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-N'-(cyclopropylmethyl)-N',2-dimethyl-propane-1,3-diamine (2S)-N-cyclopropyl-N'-(cycloprop…

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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) 2.11 7.99 -96.95 3 2 2 21 198.354 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-N'-(cyclopropylmethyl)-N',2-dimethyl-propane-1,3-diamine (2R)-N-cyclopropyl-N'-(cycloprop…

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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) 2.11 8 -96.76 3 2 2 21 198.354 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N1-cyclopropyl-N3-(cyclopropylmethyl)-N3-methyl-butane-1,3-diamine (3S)-N1-cyclopropyl-N3-(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) 1.96 7.63 -101.09 3 2 2 21 198.354 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N1-cyclopropyl-N3-(cyclopropylmethyl)-N3-methyl-butane-1,3-diamine (3R)-N1-cyclopropyl-N3-(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) 1.96 7.58 -100.82 3 2 2 21 198.354 7 ↓

Analogs

43905582
43905582
43905586
43905586
43906232
43906232
43906236
43906236
43906729
43906729

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-N'-propyl-propane-1,3-diamine (2S)-N-cyclopropyl-N'-(cycloprop…

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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) 2.99 9.39 -97.16 3 2 2 21 226.408 9 ↓

Analogs

43905582
43905582
43905586
43905586
43906232
43906232
43906236
43906236
43906729
43906729

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-N'-propyl-propane-1,3-diamine (2R)-N-cyclopropyl-N'-(cycloprop…

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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) 2.99 9.4 -97.64 3 2 2 21 226.408 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N1-cyclopropyl-N3-(cyclopropylmethyl)-N3-propyl-butane-1,3-diamine (3S)-N1-cyclopropyl-N3-(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) 2.84 9.03 -101.86 3 2 2 21 226.408 9 ↓
Hi High (pH 8-9.5) 2.84 7.74 -29.98 2 2 1 16 225.4 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N1-cyclopropyl-N3-(cyclopropylmethyl)-N3-propyl-butane-1,3-diamine (3R)-N1-cyclopropyl-N3-(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) 2.84 8.99 -101.56 3 2 2 21 226.408 9 ↓
Hi High (pH 8-9.5) 2.84 7.69 -31.04 2 2 1 16 225.4 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N1-cyclopropyl-N3-[(1S)-1-cyclopropylethyl]-N3-(2-methoxyethyl)butane-1,3-diamine (3S)-N1-cyclopropyl-N3-[(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) 2.28 5.77 -31.96 2 3 1 29 255.426 10 ↓
Mid Mid (pH 6-8) 2.28 7.48 -94.62 3 3 2 30 256.434 10 ↓

Analogs

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Popular Name: (3R)-N1-cyclopropyl-N3-[(1S)-1-cyclopropylethyl]-N3-(2-methoxyethyl)butane-1,3-diamine (3R)-N1-cyclopropyl-N3-[(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) 2.28 5.93 -35.54 2 3 1 29 255.426 10 ↓
Mid Mid (pH 6-8) 2.28 7.66 -102.55 3 3 2 30 256.434 10 ↓

Analogs

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Popular Name: N-cyclopropyl-N'-(cyclopropylmethyl)-N'-ethyl-2,2-dimethyl-propane-1,3-diamine N-cyclopropyl-N'-(cyclopropylmet…

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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 8.94 -93.57 3 2 2 21 226.408 8 ↓
Hi High (pH 8-9.5) 2.90 7.76 -33.72 2 2 1 20 225.4 8 ↓

Analogs

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Popular Name: (2S)-N-cyclopropyl-N'-(cyclopropylmethyl)-N'-ethyl-2-methyl-propane-1,3-diamine (2S)-N-cyclopropyl-N'-(cycloprop…

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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) 2.49 8.67 -95.92 3 2 2 21 212.381 8 ↓
Mid Mid (pH 6-8) 2.49 6.48 -34.43 2 2 1 20 211.373 8 ↓

Analogs

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Popular Name: (2R)-N-cyclopropyl-N'-(cyclopropylmethyl)-N'-ethyl-2-methyl-propane-1,3-diamine (2R)-N-cyclopropyl-N'-(cycloprop…

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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) 2.49 8.39 -96.25 3 2 2 21 212.381 8 ↓
Mid Mid (pH 6-8) 2.49 6.56 -34.27 2 2 1 20 211.373 8 ↓

Analogs

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Popular Name: (3S)-N1-cyclopropyl-N3-(cyclopropylmethyl)-N3-ethyl-butane-1,3-diamine (3S)-N1-cyclopropyl-N3-(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) 2.34 8.28 -100.03 3 2 2 21 212.381 8 ↓
Mid Mid (pH 6-8) 2.34 6.56 -34.07 2 2 1 20 211.373 8 ↓

Analogs

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Popular Name: (3R)-N1-cyclopropyl-N3-(cyclopropylmethyl)-N3-ethyl-butane-1,3-diamine (3R)-N1-cyclopropyl-N3-(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) 2.34 7.87 -100.49 3 2 2 21 212.381 8 ↓
Mid Mid (pH 6-8) 2.34 6.35 -33.85 2 2 1 20 211.373 8 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-[cyclopropylmethyl(ethyl)amino]-2-methyl-butanenitrile (2S)-2-(cyclopropylamino)-4-[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) 2.23 6.99 -38.67 2 3 1 40 236.383 8 ↓
Hi High (pH 8-9.5) 2.23 4.88 -3.9 1 3 0 39 235.375 8 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-4-[cyclopropylmethyl(ethyl)amino]-2-methyl-butanenitrile (2R)-2-(cyclopropylamino)-4-[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) 2.23 7.01 -41.27 2 3 1 40 236.383 8 ↓
Hi High (pH 8-9.5) 2.23 4.62 -5.37 1 3 0 39 235.375 8 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.31 7.9 -38.91 2 4 1 43 269.409 10 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.31 7.97 -34.37 2 4 1 43 269.409 10 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.68 8.81 -38.24 2 4 1 43 283.436 11 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.68 8.89 -34.1 2 4 1 43 283.436 11 ↓

Parameters Provided:

ring.id = 101081
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 = 101081 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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