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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: (2S)-2-(5-methyl-1H-benzimidazol-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (2S)-2-(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) 3.48 5.97 -11.53 2 5 0 61 326.322 3 ↓
Mid Mid (pH 6-8) 3.48 6.39 -29.22 3 5 1 62 327.33 3 ↓

Analogs

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Popular Name: (2R)-2-(5-methyl-1H-benzimidazol-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (2R)-2-(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) 3.48 5.83 -11.91 2 5 0 61 326.322 3 ↓
Mid Mid (pH 6-8) 3.48 6.51 -28.93 3 5 1 62 327.33 3 ↓

Analogs

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Popular Name: (2S)-2-(1-ethylbenzimidazol-2-yl)-N-isopropyl-pyrrolidine-1-carboxamide (2S)-2-(1-ethylbenzimidazol-2-yl…

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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) 3.24 7.95 -16.21 1 5 0 50 300.406 3 ↓
Mid Mid (pH 6-8) 3.24 8.56 -26.48 2 5 1 51 301.414 3 ↓

Analogs

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Popular Name: (2R)-2-(1-ethylbenzimidazol-2-yl)-N-isopropyl-pyrrolidine-1-carboxamide (2R)-2-(1-ethylbenzimidazol-2-yl…

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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) 3.24 7.94 -16.5 1 5 0 50 300.406 3 ↓
Mid Mid (pH 6-8) 3.24 8.59 -26.98 2 5 1 51 301.414 3 ↓

Analogs

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Popular Name: (2S)-1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-methoxy-propan-1-one (2S)-1-[(2R)-2-(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) 1.59 5.91 -18.38 1 5 0 58 273.336 3 ↓
Lo Low (pH 4.5-6) 1.59 6.41 -31.42 2 5 1 59 274.344 3 ↓

Analogs

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Popular Name: (2R)-1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-methoxy-propan-1-one (2R)-1-[(2R)-2-(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) 1.59 5.85 -18.65 1 5 0 58 273.336 3 ↓
Lo Low (pH 4.5-6) 1.59 6.35 -31.1 2 5 1 59 274.344 3 ↓

Analogs

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Popular Name: (2S)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-methoxy-propan-1-one (2S)-1-[(2S)-2-(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) 1.59 5.85 -18.67 1 5 0 58 273.336 3 ↓
Lo Low (pH 4.5-6) 1.59 6.35 -31.04 2 5 1 59 274.344 3 ↓

Analogs

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Popular Name: (2R)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-methoxy-propan-1-one (2R)-1-[(2S)-2-(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) 1.59 5.9 -18.74 1 5 0 58 273.336 3 ↓
Lo Low (pH 4.5-6) 1.59 6.4 -30.87 2 5 1 59 274.344 3 ↓

Analogs

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Popular Name: 1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-propoxy-ethanone 1-[(2R)-2-(1H-benzimidazol-2-yl)…

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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 7.16 -18.27 1 5 0 58 287.363 5 ↓
Lo Low (pH 4.5-6) 2.11 7.67 -30.94 2 5 1 59 288.371 5 ↓

Analogs

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Popular Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-propoxy-ethanone 1-[(2S)-2-(1H-benzimidazol-2-yl)…

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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 7.16 -18.27 1 5 0 58 287.363 5 ↓
Lo Low (pH 4.5-6) 2.11 7.68 -30.9 2 5 1 59 288.371 5 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 2.06 5.08 -15.3 2 7 0 87 344.415 5 ↓
Lo Low (pH 4.5-6) 2.06 5.59 -31.32 3 7 1 89 345.423 5 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 2.06 5.08 -15.28 2 7 0 87 344.415 5 ↓
Lo Low (pH 4.5-6) 2.06 5.6 -31.3 3 7 1 89 345.423 5 ↓

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) 1.78 9.08 -14.94 0 6 0 64 329.4 6 ↓
Lo Low (pH 4.5-6) 1.78 9.9 -28.48 1 6 1 66 330.408 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) 1.78 9.08 -14.97 0 6 0 64 329.4 6 ↓
Lo Low (pH 4.5-6) 1.78 9.91 -28.38 1 6 1 66 330.408 6 ↓

Analogs

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Popular Name: 2-allylsulfanyl-1-[(2S)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone 2-allylsulfanyl-1-[(2S)-2-(1-eth…

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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) 2.86 10.2 -16.86 0 4 0 38 329.469 6 ↓
Lo Low (pH 4.5-6) 2.86 11.03 -28.71 1 4 1 39 330.477 6 ↓

Analogs

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Popular Name: 2-allylsulfanyl-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone 2-allylsulfanyl-1-[(2R)-2-(1-eth…

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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) 2.86 10.21 -17.05 0 4 0 38 329.469 6 ↓
Lo Low (pH 4.5-6) 2.86 11.05 -28.52 1 4 1 39 330.477 6 ↓

Analogs

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Popular Name: (2R)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-methoxy-butan-1-one (2R)-1-[(2S)-2-(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) 2.10 6.56 -18.35 1 5 0 58 287.363 4 ↓
Lo Low (pH 4.5-6) 2.10 7.06 -30.84 2 5 1 59 288.371 4 ↓

Analogs

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Popular Name: 1-[(2R)-2-(6-bromo-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone 1-[(2R)-2-(6-bromo-1H-benzimidaz…

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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 5.68 -11.54 1 4 0 49 308.179 1 ↓
Lo Low (pH 4.5-6) 2.07 6.36 -30.26 2 4 1 50 309.187 1 ↓

Analogs

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Popular Name: 1-[(2S)-2-(6-bromo-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone 1-[(2S)-2-(6-bromo-1H-benzimidaz…

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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 6.02 -11.53 1 4 0 49 308.179 1 ↓
Lo Low (pH 4.5-6) 2.07 6.26 -30.31 2 4 1 50 309.187 1 ↓

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) 3.11 7.91 -11.7 1 7 0 85 345.399 5 ↓
Lo Low (pH 4.5-6) 3.11 8.24 -32.97 2 7 1 86 346.407 5 ↓

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) 1.83 4.87 -44.34 3 5 1 72 246.29 3 ↓
Hi High (pH 8-9.5) 1.83 3.68 -9.97 2 5 0 67 245.282 3 ↓

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) 1.83 4.98 -43.96 3 5 1 72 246.29 3 ↓
Hi High (pH 8-9.5) 1.83 3.3 -9.9 2 5 0 67 245.282 3 ↓

Analogs

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Popular Name: 1-[(2S)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-3,3,3-trifluoro-propan-1-one 1-[(2S)-2-(1-ethylbenzimidazol-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) 2.88 8.72 -17.42 0 4 0 38 325.334 4 ↓
Lo Low (pH 4.5-6) 2.88 9.53 -31.22 1 4 1 39 326.342 4 ↓

Analogs

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Popular Name: 1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-3,3,3-trifluoro-propan-1-one 1-[(2R)-2-(1-ethylbenzimidazol-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) 2.88 8.73 -17.48 0 4 0 38 325.334 4 ↓
Lo Low (pH 4.5-6) 2.88 9.55 -31.04 1 4 1 39 326.342 4 ↓

Analogs

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Popular Name: (2R)-N-ethyl-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carboxamide (2R)-N-ethyl-2-(1-ethylbenzimida…

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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) 2.95 7.15 -16.38 1 5 0 50 286.379 3 ↓
Mid Mid (pH 6-8) 2.95 7.79 -27.3 2 5 1 51 287.387 3 ↓

Analogs

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Popular Name: (2S)-N-ethyl-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carboxamide (2S)-N-ethyl-2-(1-ethylbenzimida…

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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) 2.95 7.14 -16.25 1 5 0 50 286.379 3 ↓
Mid Mid (pH 6-8) 2.95 7.76 -26.59 2 5 1 51 287.387 3 ↓

Analogs

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Popular Name: (2R)-2-(1H-benzimidazol-2-yl)-N-propyl-pyrrolidine-1-carboxamide (2R)-2-(1H-benzimidazol-2-yl)-N-…

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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) 3.01 5.48 -13.52 2 5 0 61 272.352 3 ↓

Analogs

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Popular Name: (2S)-2-(1H-benzimidazol-2-yl)-N-propyl-pyrrolidine-1-carboxamide (2S)-2-(1H-benzimidazol-2-yl)-N-…

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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) 3.01 5.62 -12.87 2 5 0 61 272.352 3 ↓

Analogs

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Popular Name: 2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-6-methyl-1H-benzimidazole 2-[(2S,4S)-4-methoxypyrrolidin-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) 1.81 4 -47.61 3 4 1 55 232.307 2 ↓

Analogs

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Popular Name: 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]-6-methyl-1H-benzimidazole 2-[(2R,4S)-4-methoxypyrrolidin-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) 1.81 3.69 -40.23 3 4 1 55 232.307 2 ↓

Analogs

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Popular Name: 2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-6-methyl-1H-benzimidazole 2-[(2S,4R)-4-methoxypyrrolidin-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) 1.81 3.94 -46.99 3 4 1 55 232.307 2 ↓

Analogs

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Popular Name: 2-[(2R,4R)-4-methoxypyrrolidin-2-yl]-6-methyl-1H-benzimidazole 2-[(2R,4R)-4-methoxypyrrolidin-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) 1.81 3.68 -42.68 3 4 1 55 232.307 2 ↓

Analogs

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Popular Name: 2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-1-propyl-benzimidazole 2-[(2S,4S)-4-methoxypyrrolidin-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) 2.33 6.23 -42.6 2 4 1 44 260.361 4 ↓
Mid Mid (pH 6-8) 2.33 4.93 -12.23 1 4 0 39 259.353 4 ↓
Lo Low (pH 4.5-6) 2.33 6.81 -103.02 3 4 2 45 261.369 4 ↓

Analogs

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Popular Name: 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1-propyl-benzimidazole 2-[(2R,4S)-4-methoxypyrrolidin-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) 2.33 6.35 -38.61 2 4 1 44 260.361 4 ↓
Mid Mid (pH 6-8) 2.33 4.95 -7.12 1 4 0 39 259.353 4 ↓
Lo Low (pH 4.5-6) 2.33 6.9 -101.63 3 4 2 45 261.369 4 ↓

Analogs

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Popular Name: 2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1-propyl-benzimidazole 2-[(2S,4R)-4-methoxypyrrolidin-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) 2.33 6.33 -39.97 2 4 1 44 260.361 4 ↓
Mid Mid (pH 6-8) 2.33 4.87 -8.98 1 4 0 39 259.353 4 ↓
Lo Low (pH 4.5-6) 2.33 6.85 -102.76 3 4 2 45 261.369 4 ↓

Analogs

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Popular Name: 2-[(2R,4R)-4-methoxypyrrolidin-2-yl]-1-propyl-benzimidazole 2-[(2R,4R)-4-methoxypyrrolidin-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) 2.33 6.42 -41.24 2 4 1 44 260.361 4 ↓
Mid Mid (pH 6-8) 2.33 5.05 -8.74 1 4 0 39 259.353 4 ↓
Lo Low (pH 4.5-6) 2.33 6.97 -102.23 3 4 2 45 261.369 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isopropyl-2-[(2S,4S)-4-methoxypyrrolidin-2-yl]benzimidazole 1-isopropyl-2-[(2S,4S)-4-methoxy…

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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) 2.19 5.8 -42.3 2 4 1 44 260.361 3 ↓
Mid Mid (pH 6-8) 2.19 4.49 -12.34 1 4 0 39 259.353 3 ↓
Lo Low (pH 4.5-6) 2.19 6.37 -101.98 3 4 2 45 261.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isopropyl-2-[(2R,4S)-4-methoxypyrrolidin-2-yl]benzimidazole 1-isopropyl-2-[(2R,4S)-4-methoxy…

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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) 2.19 5.9 -38.7 2 4 1 44 260.361 3 ↓
Mid Mid (pH 6-8) 2.19 4.52 -7.22 1 4 0 39 259.353 3 ↓
Lo Low (pH 4.5-6) 2.19 6.45 -101 3 4 2 45 261.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isopropyl-2-[(2S,4R)-4-methoxypyrrolidin-2-yl]benzimidazole 1-isopropyl-2-[(2S,4R)-4-methoxy…

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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) 2.19 5.89 -39.72 2 4 1 44 260.361 3 ↓
Mid Mid (pH 6-8) 2.19 4.43 -9.05 1 4 0 39 259.353 3 ↓
Lo Low (pH 4.5-6) 2.19 6.42 -101.72 3 4 2 45 261.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isopropyl-2-[(2R,4R)-4-methoxypyrrolidin-2-yl]benzimidazole 1-isopropyl-2-[(2R,4R)-4-methoxy…

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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) 2.19 5.98 -41.31 2 4 1 44 260.361 3 ↓
Mid Mid (pH 6-8) 2.19 4.61 -8.79 1 4 0 39 259.353 3 ↓
Lo Low (pH 4.5-6) 2.19 6.54 -101.52 3 4 2 45 261.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tert-butyl-2-[(2S,4S)-4-methoxypyrrolidin-2-yl]benzimidazole 1-tert-butyl-2-[(2S,4S)-4-methox…

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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) 2.63 5.69 -40.93 2 4 1 44 274.388 3 ↓
Mid Mid (pH 6-8) 2.63 4.4 -12.68 1 4 0 39 273.38 3 ↓
Lo Low (pH 4.5-6) 2.63 6.27 -98.55 3 4 2 45 275.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tert-butyl-2-[(2R,4S)-4-methoxypyrrolidin-2-yl]benzimidazole 1-tert-butyl-2-[(2R,4S)-4-methox…

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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) 2.63 5.84 -37.52 2 4 1 44 274.388 3 ↓
Mid Mid (pH 6-8) 2.63 4.44 -7.54 1 4 0 39 273.38 3 ↓
Lo Low (pH 4.5-6) 2.63 6.35 -97.91 3 4 2 45 275.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tert-butyl-2-[(2S,4R)-4-methoxypyrrolidin-2-yl]benzimidazole 1-tert-butyl-2-[(2S,4R)-4-methox…

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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) 2.63 5.8 -38.36 2 4 1 44 274.388 3 ↓
Mid Mid (pH 6-8) 2.63 4.35 -9.46 1 4 0 39 273.38 3 ↓
Lo Low (pH 4.5-6) 2.63 6.32 -98.48 3 4 2 45 275.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tert-butyl-2-[(2R,4R)-4-methoxypyrrolidin-2-yl]benzimidazole 1-tert-butyl-2-[(2R,4R)-4-methox…

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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) 2.63 5.89 -40.03 2 4 1 44 274.388 3 ↓
Mid Mid (pH 6-8) 2.63 4.53 -9.16 1 4 0 39 273.38 3 ↓
Lo Low (pH 4.5-6) 2.63 6.42 -98.09 3 4 2 45 275.396 3 ↓

Analogs

42061173
42061173

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-methyl-but-2-en-1-one 1-[(2R)-2-(1H-benzimidazol-2-yl)…

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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) 2.92 7.15 -12.07 1 4 0 49 269.348 2 ↓

Analogs

42061171
42061171

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-methyl-but-2-en-1-one 1-[(2S)-2-(1H-benzimidazol-2-yl)…

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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) 2.92 7.52 -11.48 1 4 0 49 269.348 2 ↓

Parameters Provided:

ring.id = 30698
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 = 30698 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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