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

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Popular Name: N-[(2S)-2-(2-methylbenzimidazol-1-yl)propyl]cyclopropanamine N-[(2S)-2-(2-methylbenzimidazol-…

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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) 2.10 7.68 -49.45 2 3 1 34 230.335 4 ↓
Lo Low (pH 4.5-6) 2.10 8.12 -92.63 3 3 2 36 231.343 4 ↓

Analogs

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Popular Name: N-[(2R)-2-(2-methylbenzimidazol-1-yl)propyl]cyclopropanamine N-[(2R)-2-(2-methylbenzimidazol-…

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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) 2.10 7.68 -49.7 2 3 1 34 230.335 4 ↓
Lo Low (pH 4.5-6) 2.10 8.12 -92.78 3 3 2 36 231.343 4 ↓

Analogs

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Popular Name: N-[(2S)-2-(5,6-difluorobenzimidazol-1-yl)propyl]cyclopropanamine N-[(2S)-2-(5,6-difluorobenzimida…

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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 8.09 -52.75 2 3 1 34 252.288 4 ↓

Analogs

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Popular Name: N-[(2R)-2-(5,6-difluorobenzimidazol-1-yl)propyl]cyclopropanamine N-[(2R)-2-(5,6-difluorobenzimida…

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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 8.08 -52.98 2 3 1 34 252.288 4 ↓

Analogs

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Popular Name: N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]cyclopropanamine N-[2-(5,6-difluorobenzimidazol-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) 1.88 7.69 -54.32 2 3 1 34 238.261 4 ↓

Analogs

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Popular Name: N-[(2S)-2-(5,6-dimethylbenzimidazol-1-yl)propyl]cyclopropanamine N-[(2S)-2-(5,6-dimethylbenzimida…

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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) 2.81 9.18 -48.66 2 3 1 34 244.362 4 ↓
Lo Low (pH 4.5-6) 2.81 9.66 -99.37 3 3 2 36 245.37 4 ↓

Analogs

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Popular Name: N-[(2R)-2-(5,6-dimethylbenzimidazol-1-yl)propyl]cyclopropanamine N-[(2R)-2-(5,6-dimethylbenzimida…

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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) 2.81 9.17 -48.82 2 3 1 34 244.362 4 ↓
Lo Low (pH 4.5-6) 2.81 9.65 -99.77 3 3 2 36 245.37 4 ↓

Analogs

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Popular Name: N-[(2R)-2-(5,6-dimethylbenzimidazol-1-yl)-3-methyl-butyl]cyclopropanamine N-[(2R)-2-(5,6-dimethylbenzimida…

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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 10.86 -44.03 2 3 1 34 272.416 5 ↓
Mid Mid (pH 6-8) 3.56 11.34 -101.15 3 3 2 36 273.424 5 ↓

Analogs

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Popular Name: N-[(2S)-2-(5,6-dimethylbenzimidazol-1-yl)-3-methyl-butyl]cyclopropanamine N-[(2S)-2-(5,6-dimethylbenzimida…

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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 10.9 -43.87 2 3 1 34 272.416 5 ↓
Mid Mid (pH 6-8) 3.56 11.38 -101.3 3 3 2 36 273.424 5 ↓

Analogs

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Popular Name: N-[(2S)-2-(5,6-dimethylbenzimidazol-1-yl)butyl]cyclopropanamine N-[(2S)-2-(5,6-dimethylbenzimida…

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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) 3.31 10.18 -44.55 2 3 1 34 258.389 5 ↓
Mid Mid (pH 6-8) 3.31 10.66 -101.4 3 3 2 36 259.397 5 ↓

Analogs

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Popular Name: N-[(2R)-2-(5,6-dimethylbenzimidazol-1-yl)butyl]cyclopropanamine N-[(2R)-2-(5,6-dimethylbenzimida…

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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) 3.31 10.08 -50.15 2 3 1 34 258.389 5 ↓
Mid Mid (pH 6-8) 3.31 10.56 -101.62 3 3 2 36 259.397 5 ↓

Analogs

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Popular Name: N-[(2S)-2-(benzimidazol-1-yl)propyl]cyclopropanamine N-[(2S)-2-(benzimidazol-1-yl)pro…

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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 7.96 -48.64 2 3 1 34 216.308 4 ↓
Lo Low (pH 4.5-6) 2.01 8.44 -98.66 3 3 2 36 217.316 4 ↓

Analogs

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Popular Name: N-[(2R)-2-(benzimidazol-1-yl)propyl]cyclopropanamine N-[(2R)-2-(benzimidazol-1-yl)pro…

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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 7.95 -48.83 2 3 1 34 216.308 4 ↓
Lo Low (pH 4.5-6) 2.01 8.43 -99.11 3 3 2 36 217.316 4 ↓

Analogs

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Popular Name: N-[(2S)-2-(benzimidazol-1-yl)-3-methyl-butyl]cyclopropanamine N-[(2S)-2-(benzimidazol-1-yl)-3-…

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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) 2.76 9.6 -43.9 2 3 1 34 244.362 5 ↓
Mid Mid (pH 6-8) 2.76 10.09 -100.76 3 3 2 36 245.37 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(benzimidazol-1-yl)-3-methyl-butyl]cyclopropanamine N-[(2R)-2-(benzimidazol-1-yl)-3-…

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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) 2.76 9.67 -44.2 2 3 1 34 244.362 5 ↓
Mid Mid (pH 6-8) 2.76 10.15 -100.07 3 3 2 36 245.37 5 ↓

Analogs

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Popular Name: N-[(2S)-2-(benzimidazol-1-yl)butyl]cyclopropanamine N-[(2S)-2-(benzimidazol-1-yl)but…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.51 8.98 -44.58 2 3 1 34 230.335 5 ↓
Mid Mid (pH 6-8) 2.51 9.46 -100.73 3 3 2 36 231.343 5 ↓

Analogs

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Popular Name: N-[(2R)-2-(benzimidazol-1-yl)butyl]cyclopropanamine N-[(2R)-2-(benzimidazol-1-yl)but…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.51 8.88 -50.13 2 3 1 34 230.335 5 ↓
Mid Mid (pH 6-8) 2.51 9.36 -100.85 3 3 2 36 231.343 5 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-3-(2-ethylbenzimidazol-1-yl)-2-methyl-propanenitrile (2S)-2-(cyclopropylamino)-3-(2-e…

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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 6.51 -11.85 1 4 0 54 268.364 5 ↓
Mid Mid (pH 6-8) 2.53 7 -27.8 2 4 1 55 269.372 5 ↓
Lo Low (pH 4.5-6) 2.53 8.11 -99.54 3 4 2 59 270.38 5 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-3-(2-ethylbenzimidazol-1-yl)-2-methyl-propanenitrile (2R)-2-(cyclopropylamino)-3-(2-e…

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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 6.67 -13.37 1 4 0 54 268.364 5 ↓
Mid Mid (pH 6-8) 2.53 6.98 -35.4 2 4 1 55 269.372 5 ↓
Lo Low (pH 4.5-6) 2.53 8.14 -104.68 3 4 2 59 270.38 5 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-3-(2-ethylbenzimidazol-1-yl)propanenitrile (2S)-2-(cyclopropylamino)-3-(2-e…

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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 7.73 -10.27 1 4 0 54 254.337 5 ↓
Mid Mid (pH 6-8) 2.08 7.51 -32.65 2 4 1 55 255.345 5 ↓
Lo Low (pH 4.5-6) 2.08 8.63 -102.32 3 4 2 59 256.353 5 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-3-(2-ethylbenzimidazol-1-yl)propanenitrile (2R)-2-(cyclopropylamino)-3-(2-e…

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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 7.11 -9.7 1 4 0 54 254.337 5 ↓
Mid Mid (pH 6-8) 2.08 7.41 -34.64 2 4 1 55 255.345 5 ↓
Lo Low (pH 4.5-6) 2.08 8.5 -101.44 3 4 2 59 256.353 5 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-3-(2-ethylbenzimidazol-1-yl)-2-methyl-propanamide (2S)-2-(cyclopropylamino)-3-(2-e…

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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) 1.47 4.37 -60.61 4 5 1 78 287.387 6 ↓
Mid Mid (pH 6-8) 1.47 3.25 -15.44 3 5 0 73 286.379 6 ↓
Lo Low (pH 4.5-6) 1.47 5.09 -97.77 5 5 2 79 288.395 6 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-3-(2-ethylbenzimidazol-1-yl)-2-methyl-propanamide (2R)-2-(cyclopropylamino)-3-(2-e…

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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) 1.47 4.84 -60.88 4 5 1 78 287.387 6 ↓
Mid Mid (pH 6-8) 1.47 3.65 -15.44 3 5 0 73 286.379 6 ↓
Lo Low (pH 4.5-6) 1.47 5.03 -100.12 5 5 2 79 288.395 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-3-(2-ethylbenzimidazol-1-yl)-2-methyl-propanoic (2S)-2-(cyclopropylamino)-3-(2-e…

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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) 0.01 7.94 -44.69 2 5 0 75 287.363 6 ↓
Hi High (pH 8-9.5) 0.01 6.84 -47.42 1 5 -1 70 286.355 6 ↓
Lo Low (pH 4.5-6) 0.01 8.35 -49.95 3 5 1 76 288.371 6 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-3-(2-ethylbenzimidazol-1-yl)-2-methyl-propanoic (2R)-2-(cyclopropylamino)-3-(2-e…

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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) 0.01 7.83 -42.09 2 5 0 75 287.363 6 ↓
Hi High (pH 8-9.5) 0.01 6.77 -48.6 1 5 -1 70 286.355 6 ↓
Lo Low (pH 4.5-6) 0.01 8.37 -57.87 3 5 1 76 288.371 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(2-ethylbenzimidazol-1-yl)propyl]cyclopropanamine N-[(2S)-2-(2-ethylbenzimidazol-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) 2.67 8.29 -49.61 2 3 1 34 244.362 5 ↓
Lo Low (pH 4.5-6) 2.67 8.72 -91.77 3 3 2 36 245.37 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(2-ethylbenzimidazol-1-yl)propyl]cyclopropanamine N-[(2R)-2-(2-ethylbenzimidazol-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) 2.67 8.28 -49.79 2 3 1 34 244.362 5 ↓
Lo Low (pH 4.5-6) 2.67 8.71 -91.3 3 3 2 36 245.37 5 ↓

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 72954 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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