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

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) 2.62 6.55 -10.54 2 5 0 67 305.403 8 ↓
Mid Mid (pH 6-8) 2.62 7.59 -40.08 3 5 1 72 306.411 8 ↓
Lo Low (pH 4.5-6) 2.62 7.97 -94.52 4 5 2 73 307.419 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) 2.62 6.63 -9.12 2 5 0 67 305.403 8 ↓
Mid Mid (pH 6-8) 2.62 7.51 -42.88 3 5 1 72 306.411 8 ↓
Lo Low (pH 4.5-6) 2.62 7.89 -85.84 4 5 2 73 307.419 8 ↓

Analogs

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Popular Name: (2S)-4-(1H-benzimidazol-2-ylsulfanyl)-2-(cyclopropylamino)butanoic (2S)-4-(1H-benzimidazol-2-ylsulf…

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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) 0.55 7.49 -34.49 3 5 0 85 291.376 7 ↓
Hi High (pH 8-9.5) 0.55 6.53 -46.79 2 5 -1 81 290.368 7 ↓
Lo Low (pH 4.5-6) 0.55 7.87 -67.16 4 5 1 87 292.384 7 ↓

Analogs

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Popular Name: (2R)-4-(1H-benzimidazol-2-ylsulfanyl)-2-(cyclopropylamino)butanoic (2R)-4-(1H-benzimidazol-2-ylsulf…

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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) 0.55 7.41 -34.05 3 5 0 85 291.376 7 ↓
Hi High (pH 8-9.5) 0.55 6.49 -50.3 2 5 -1 81 290.368 7 ↓
Lo Low (pH 4.5-6) 0.55 7.8 -68.26 4 5 1 87 292.384 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-(1H-benzimidazol-2-ylsulfanyl)-2-(cyclopropylamino)butanamide (2S)-4-(1H-benzimidazol-2-ylsulf…

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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) 2.05 3.6 -41.62 5 5 1 88 291.4 7 ↓
Hi High (pH 8-9.5) 2.05 2.67 -11.96 4 5 0 84 290.392 7 ↓
Lo Low (pH 4.5-6) 2.05 3.98 -95.01 6 5 2 90 292.408 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-(1H-benzimidazol-2-ylsulfanyl)-2-(cyclopropylamino)butanamide (2R)-4-(1H-benzimidazol-2-ylsulf…

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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) 2.05 3.59 -42.1 5 5 1 88 291.4 7 ↓
Hi High (pH 8-9.5) 2.05 2.6 -13.62 4 5 0 84 290.392 7 ↓
Lo Low (pH 4.5-6) 2.05 3.97 -95.89 6 5 2 90 292.408 7 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]butanoic (2S)-2-(cyclopropylamino)-4-[(5-…

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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) 0.97 8.16 -34.3 3 5 0 85 305.403 7 ↓
Hi High (pH 8-9.5) 0.97 7.19 -46.47 2 5 -1 81 304.395 7 ↓
Lo Low (pH 4.5-6) 0.97 8.46 -66.72 4 5 1 87 306.411 7 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-4-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]butanoic (2R)-2-(cyclopropylamino)-4-[(5-…

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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) 0.97 8.08 -33.84 3 5 0 85 305.403 7 ↓
Hi High (pH 8-9.5) 0.97 7.16 -50.02 2 5 -1 81 304.395 7 ↓
Lo Low (pH 4.5-6) 0.97 8.54 -69.02 4 5 1 87 306.411 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide (2S)-2-(cyclopropylamino)-4-[(5-…

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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 4.26 -41.53 5 5 1 88 305.427 7 ↓
Hi High (pH 8-9.5) 2.47 3.34 -11.74 4 5 0 84 304.419 7 ↓
Lo Low (pH 4.5-6) 2.47 4.64 -95.67 6 5 2 90 306.435 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide (2R)-2-(cyclopropylamino)-4-[(5-…

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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 4.25 -41.93 5 5 1 88 305.427 7 ↓
Hi High (pH 8-9.5) 2.47 3.26 -13.39 4 5 0 84 304.419 7 ↓
Lo Low (pH 4.5-6) 2.47 4.63 -96.64 6 5 2 90 306.435 7 ↓

Analogs

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Popular Name: (2R)-1-(cyclopropylamino)-3-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-ol (2R)-1-(cyclopropylamino)-3-[(5-…

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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 4.34 -42.8 4 4 1 66 278.401 6 ↓
Hi High (pH 8-9.5) 2.28 3.05 -7.56 3 4 0 61 277.393 6 ↓
Lo Low (pH 4.5-6) 2.28 4.72 -86.69 5 4 2 67 279.409 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(cyclopropylamino)-3-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-ol (2S)-1-(cyclopropylamino)-3-[(5-…

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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 4.36 -42.82 4 4 1 66 278.401 6 ↓
Hi High (pH 8-9.5) 2.28 3.02 -7.67 3 4 0 61 277.393 6 ↓
Lo Low (pH 4.5-6) 2.28 4.74 -86.69 5 4 2 67 279.409 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine N-[3-[(5-methyl-1H-benzimidazol-…

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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 7.57 -42.34 3 3 1 45 262.402 6 ↓
Lo Low (pH 4.5-6) 3.19 7.95 -84.66 4 3 2 47 263.41 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-2-methyl-4-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]butanenitrile (2S)-2-(cyclopropylamino)-2-meth…

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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) 3.41 6.61 -10.79 2 4 0 65 300.431 6 ↓
Mid Mid (pH 6-8) 3.41 7.75 -51.14 3 4 1 69 301.439 6 ↓
Lo Low (pH 4.5-6) 3.41 8.13 -91.31 4 4 2 70 302.447 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-2-methyl-4-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]butanenitrile (2R)-2-(cyclopropylamino)-2-meth…

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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) 3.41 6.65 -12.6 2 4 0 65 300.431 6 ↓
Mid Mid (pH 6-8) 3.41 7.81 -51.24 3 4 1 69 301.439 6 ↓
Lo Low (pH 4.5-6) 3.41 8.2 -93.44 4 4 2 70 302.447 6 ↓

Analogs

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Popular Name: N-[3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine N-[3-[(6-ethoxy-1H-benzimidazol-…

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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) 3.18 7.12 -43.24 3 4 1 55 292.428 8 ↓

Analogs

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Popular Name: N-[3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine N-[3-[(6-methoxy-1H-benzimidazol…

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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 6.19 -43.31 3 4 1 55 278.401 7 ↓

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