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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-[3-(5,6-difluorobenzimidazol-1-yl)propyl]cyclopropanamine N-[3-(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) 2.15 8.46 -50.73 2 3 1 34 252.288 5 ↓
Lo Low (pH 4.5-6) 2.15 8.94 -104.65 3 3 2 36 253.296 5 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-(5,6-dimethylbenzimidazol-1-yl)butanoic (2S)-2-(cyclopropylamino)-4-(5,6…

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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) 0.50 10.17 -45.69 2 5 0 75 287.363 6 ↓
Hi High (pH 8-9.5) 0.50 9.2 -47.19 1 5 -1 70 286.355 6 ↓
Mid Mid (pH 6-8) 0.50 10.65 -79.49 3 5 1 76 288.371 6 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-4-(5,6-dimethylbenzimidazol-1-yl)butanoic (2R)-2-(cyclopropylamino)-4-(5,6…

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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) 0.50 10.06 -43.33 2 5 0 75 287.363 6 ↓
Hi High (pH 8-9.5) 0.50 9.11 -52.36 1 5 -1 70 286.355 6 ↓
Mid Mid (pH 6-8) 0.50 10.54 -71.97 3 5 1 76 288.371 6 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-(5,6-dimethylbenzimidazol-1-yl)butanamide (2S)-2-(cyclopropylamino)-4-(5,6…

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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) 2.00 6.25 -53.42 4 5 1 78 287.387 6 ↓
Hi High (pH 8-9.5) 2.00 5.33 -13.1 3 5 0 73 286.379 6 ↓
Mid Mid (pH 6-8) 2.00 6.72 -107.05 5 5 2 79 288.395 6 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-4-(5,6-dimethylbenzimidazol-1-yl)butanamide (2R)-2-(cyclopropylamino)-4-(5,6…

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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) 2.00 6.24 -53.81 4 5 1 78 287.387 6 ↓
Hi High (pH 8-9.5) 2.00 5.26 -16.96 3 5 0 73 286.379 6 ↓
Mid Mid (pH 6-8) 2.00 6.71 -106.4 5 5 2 79 288.395 6 ↓

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) 1.86 7.2 -13.9 1 5 0 56 287.363 7 ↓
Mid Mid (pH 6-8) 1.86 8.3 -32.24 2 5 1 57 288.371 7 ↓
Mid Mid (pH 6-8) 1.86 8.73 -53.04 2 5 1 61 288.371 7 ↓

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) 1.86 7.23 -11.34 1 5 0 56 287.363 7 ↓
Mid Mid (pH 6-8) 1.86 8.24 -35.68 2 5 1 57 288.371 7 ↓
Mid Mid (pH 6-8) 1.86 8.66 -54.04 2 5 1 61 288.371 7 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-(2-methylbenzimidazol-1-yl)butanoic (2S)-2-(cyclopropylamino)-4-(2-m…

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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) -0.22 8.74 -44.49 2 5 0 75 273.336 6 ↓
Hi High (pH 8-9.5) -0.22 7.75 -47.06 1 5 -1 70 272.328 6 ↓
Mid Mid (pH 6-8) -0.22 9.12 -67.84 3 5 1 76 274.344 6 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-4-(2-methylbenzimidazol-1-yl)butanoic (2R)-2-(cyclopropylamino)-4-(2-m…

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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) -0.22 8.64 -44.3 2 5 0 75 273.336 6 ↓
Hi High (pH 8-9.5) -0.22 7.73 -52.08 1 5 -1 70 272.328 6 ↓
Mid Mid (pH 6-8) -0.22 9.16 -71.31 3 5 1 76 274.344 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-(2-methylbenzimidazol-1-yl)butanamide (2S)-2-(cyclopropylamino)-4-(2-m…

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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) 1.29 4.81 -54.25 4 5 1 78 273.36 6 ↓
Hi High (pH 8-9.5) 1.29 3.91 -14.32 3 5 0 73 272.352 6 ↓
Mid Mid (pH 6-8) 1.29 5.25 -100.2 5 5 2 79 274.368 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-(2-methylbenzimidazol-1-yl)butanamide (2R)-2-(cyclopropylamino)-4-(2-m…

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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) 1.29 4.81 -54.73 4 5 1 78 273.36 6 ↓
Hi High (pH 8-9.5) 1.29 3.84 -16.34 3 5 0 73 272.352 6 ↓
Mid Mid (pH 6-8) 1.29 5.25 -100.97 5 5 2 79 274.368 6 ↓

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) 2.14 9.88 -52.76 2 5 1 61 288.371 8 ↓
Mid Mid (pH 6-8) 2.14 8.41 -11.39 1 5 0 56 287.363 8 ↓
Lo Low (pH 4.5-6) 2.14 10.36 -103.05 3 5 2 62 289.379 8 ↓

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) 2.14 9.85 -48.06 2 5 1 61 288.371 8 ↓
Mid Mid (pH 6-8) 2.14 8.33 -13.14 1 5 0 56 287.363 8 ↓
Lo Low (pH 4.5-6) 2.14 10.33 -98.08 3 5 2 62 289.379 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) 1.77 7.99 -14.09 1 5 0 56 273.336 7 ↓
Mid Mid (pH 6-8) 1.77 8.86 -53.15 2 5 1 61 274.344 7 ↓
Lo Low (pH 4.5-6) 1.77 9.33 -103.5 3 5 2 62 275.352 7 ↓

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) 1.77 8.05 -10.62 1 5 0 56 273.336 7 ↓
Mid Mid (pH 6-8) 1.77 8.93 -52.59 2 5 1 61 274.344 7 ↓
Lo Low (pH 4.5-6) 1.77 9.41 -105.68 3 5 2 62 275.352 7 ↓

Analogs

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Popular Name: (2S)-4-(benzimidazol-1-yl)-2-(cyclopropylamino)butanoic (2S)-4-(benzimidazol-1-yl)-2-(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) -0.30 8.95 -45.64 2 5 0 75 259.309 6 ↓
Hi High (pH 8-9.5) -0.30 7.94 -46.87 1 5 -1 70 258.301 6 ↓
Mid Mid (pH 6-8) -0.30 9.36 -79.08 3 5 1 76 260.317 6 ↓

Analogs

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Popular Name: (2R)-4-(benzimidazol-1-yl)-2-(cyclopropylamino)butanoic (2R)-4-(benzimidazol-1-yl)-2-(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) -0.30 8.83 -43.35 2 5 0 75 259.309 6 ↓
Hi High (pH 8-9.5) -0.30 7.93 -51.45 1 5 -1 70 258.301 6 ↓
Mid Mid (pH 6-8) -0.30 9.39 -72.61 3 5 1 76 260.317 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-(benzimidazol-1-yl)-2-(cyclopropylamino)butanamide (2S)-4-(benzimidazol-1-yl)-2-(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) 1.20 5.02 -53.51 4 5 1 78 259.333 6 ↓
Hi High (pH 8-9.5) 1.20 4.1 -12.99 3 5 0 73 258.325 6 ↓
Mid Mid (pH 6-8) 1.20 5.5 -106.34 5 5 2 79 260.341 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-(benzimidazol-1-yl)-2-(cyclopropylamino)butanamide (2R)-4-(benzimidazol-1-yl)-2-(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) 1.20 5.01 -53.84 4 5 1 78 259.333 6 ↓
Hi High (pH 8-9.5) 1.20 4.03 -16.83 3 5 0 73 258.325 6 ↓
Mid Mid (pH 6-8) 1.20 5.48 -105.63 5 5 2 79 260.341 6 ↓

Analogs

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Popular Name: N-[(3S)-3-(5,6-dimethylbenzimidazol-1-yl)butyl]cyclopropanamine N-[(3S)-3-(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) 3.08 9.78 -48.39 2 3 1 34 258.389 5 ↓
Mid Mid (pH 6-8) 3.08 10.25 -94.17 3 3 2 36 259.397 5 ↓

Analogs

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Popular Name: N-[(3R)-3-(5,6-dimethylbenzimidazol-1-yl)butyl]cyclopropanamine N-[(3R)-3-(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) 3.08 9.78 -48.3 2 3 1 34 258.389 5 ↓
Mid Mid (pH 6-8) 3.08 10.25 -93.91 3 3 2 36 259.397 5 ↓

Analogs

70515843
70515843
70515844
70515844

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-methyl-propyl]cyclopropanamine N-[(2S)-3-(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) 3.19 9.93 -47.83 2 3 1 34 258.389 5 ↓
Mid Mid (pH 6-8) 3.19 10.41 -91.56 3 3 2 36 259.397 5 ↓

Analogs

70515859
70515859
70515860
70515860

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Popular Name: N-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-methyl-propyl]cyclopropanamine N-[(2R)-3-(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) 3.19 9.84 -48.22 2 3 1 34 258.389 5 ↓
Mid Mid (pH 6-8) 3.19 10.32 -93.81 3 3 2 36 259.397 5 ↓

Analogs

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Popular Name: N-[(3S)-3-(benzimidazol-1-yl)butyl]cyclopropanamine N-[(3S)-3-(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) 2.28 8.56 -48.35 2 3 1 34 230.335 5 ↓
Mid Mid (pH 6-8) 2.28 9.04 -93.59 3 3 2 36 231.343 5 ↓

Analogs

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Popular Name: N-[(3R)-3-(benzimidazol-1-yl)butyl]cyclopropanamine N-[(3R)-3-(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) 2.28 8.57 -48.3 2 3 1 34 230.335 5 ↓
Mid Mid (pH 6-8) 2.28 9.05 -93.52 3 3 2 36 231.343 5 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.39 8.7 -47.75 2 3 1 34 230.335 5 ↓
Mid Mid (pH 6-8) 2.39 9.18 -91.05 3 3 2 36 231.343 5 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.39 8.63 -48.05 2 3 1 34 230.335 5 ↓
Mid Mid (pH 6-8) 2.39 9.1 -93.34 3 3 2 36 231.343 5 ↓

Analogs

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Popular Name: N-[3-(2-ethylbenzimidazol-1-yl)propyl]cyclopropanamine N-[3-(2-ethylbenzimidazol-1-yl)p…

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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) 2.58 8.74 -49.18 2 3 1 34 244.362 6 ↓
Mid Mid (pH 6-8) 2.58 9.03 -87.82 3 3 2 36 245.37 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(cyclopropylamino)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol (2R)-1-(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) 1.66 5.7 -52.07 3 4 1 55 260.361 6 ↓
Hi High (pH 8-9.5) 1.66 4.42 -11.8 2 4 0 50 259.353 6 ↓
Mid Mid (pH 6-8) 1.66 5.89 -90.61 4 4 2 56 261.369 6 ↓

Analogs

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Popular Name: (2S)-1-(cyclopropylamino)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol (2S)-1-(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) 1.66 5.53 -52.35 3 4 1 55 260.361 6 ↓
Hi High (pH 8-9.5) 1.66 4.17 -11.58 2 4 0 50 259.353 6 ↓
Mid Mid (pH 6-8) 1.66 5.82 -90.33 4 4 2 56 261.369 6 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-(2-ethylbenzimidazol-1-yl)butanenitrile (2S)-2-(cyclopropylamino)-4-(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) 2.35 7.99 -12.94 1 4 0 54 268.364 6 ↓
Mid Mid (pH 6-8) 2.35 8.27 -33.4 2 4 1 55 269.372 6 ↓
Mid Mid (pH 6-8) 2.35 8.92 -63.12 2 4 1 58 269.372 6 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-4-(2-ethylbenzimidazol-1-yl)butanenitrile (2R)-2-(cyclopropylamino)-4-(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) 2.35 7.87 -15.29 1 4 0 54 268.364 6 ↓
Mid Mid (pH 6-8) 2.35 8.17 -37.6 2 4 1 55 269.372 6 ↓
Mid Mid (pH 6-8) 2.35 8.96 -64.47 2 4 1 58 269.372 6 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-(2-ethylbenzimidazol-1-yl)-2-methyl-butanenitrile (2S)-2-(cyclopropylamino)-4-(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) 2.80 7.75 -10.23 1 4 0 54 282.391 6 ↓
Mid Mid (pH 6-8) 2.80 8.06 -29.3 2 4 1 55 283.399 6 ↓
Mid Mid (pH 6-8) 2.80 8.89 -53.54 2 4 1 58 283.399 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-(2-ethylbenzimidazol-1-yl)-2-methyl-butanenitrile (2R)-2-(cyclopropylamino)-4-(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) 2.80 7.8 -13.63 1 4 0 54 282.391 6 ↓
Mid Mid (pH 6-8) 2.80 8.96 -55.28 2 4 1 58 283.399 6 ↓
Mid Mid (pH 6-8) 2.80 8.09 -35.09 2 4 1 55 283.399 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-(2-ethylbenzimidazol-1-yl)butanoic (2S)-2-(cyclopropylamino)-4-(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) 0.36 9.28 -43.7 2 5 0 75 287.363 7 ↓
Hi High (pH 8-9.5) 0.36 8.35 -46.73 1 5 -1 70 286.355 7 ↓
Mid Mid (pH 6-8) 0.36 9.64 -67.54 3 5 1 76 288.371 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-(2-ethylbenzimidazol-1-yl)butanoic (2R)-2-(cyclopropylamino)-4-(2-e…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.36 9.32 -43.94 2 5 0 75 287.363 7 ↓
Hi High (pH 8-9.5) 0.36 8.34 -51.56 1 5 -1 70 286.355 7 ↓
Mid Mid (pH 6-8) 0.36 9.54 -69.14 3 5 1 76 288.371 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-(2-ethylbenzimidazol-1-yl)butanamide (2S)-2-(cyclopropylamino)-4-(2-e…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 5.42 -54.35 4 5 1 78 287.387 7 ↓
Hi High (pH 8-9.5) 1.86 4.51 -13.93 3 5 0 73 286.379 7 ↓
Mid Mid (pH 6-8) 1.86 5.72 -98.79 5 5 2 79 288.395 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-(2-ethylbenzimidazol-1-yl)butanamide (2R)-2-(cyclopropylamino)-4-(2-e…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 5.42 -54.78 4 5 1 78 287.387 7 ↓
Hi High (pH 8-9.5) 1.86 4.44 -15.95 3 5 0 73 286.379 7 ↓
Mid Mid (pH 6-8) 1.86 5.71 -99.51 5 5 2 79 288.395 7 ↓

Analogs

70515843
70515843
70515844
70515844
70515859
70515859
70515860
70515860

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[cyclopropyl(methyl)amino]-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol (2R)-1-[cyclopropyl(methyl)amino…

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Activity (Go SEA)

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) 2.05 8.25 -48.13 2 4 1 42 274.388 5 ↓
Mid Mid (pH 6-8) 2.05 8.74 -92.9 3 4 2 44 275.396 5 ↓

Analogs

70515843
70515843
70515844
70515844
70515859
70515859
70515860
70515860

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[cyclopropyl(methyl)amino]-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol (2S)-1-[cyclopropyl(methyl)amino…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.05 8.21 -47.93 2 4 1 42 274.388 5 ↓
Mid Mid (pH 6-8) 2.05 8.68 -91.55 3 4 2 44 275.396 5 ↓

Parameters Provided:

ring.id = 74429
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 = 74429 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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