UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(2-methoxy-5-methyl-phenyl)-1H-benzimidazol-5-amine 2-(2-methoxy-5-methyl-phenyl)-1H…

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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) 3.03 5.3 -11.55 3 4 0 64 253.305 2 ↓
Lo Low (pH 4.5-6) 3.03 5.45 -21.91 4 4 1 65 254.313 2 ↓

Analogs

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Popular Name: 2-(2-methoxy-5-methyl-phenyl)-6-methyl-1H-benzimidazole 2-(2-methoxy-5-methyl-phenyl)-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) 4.40 8.1 -10.99 1 3 0 38 252.317 2 ↓
Lo Low (pH 4.5-6) 4.40 8.23 -21.87 2 3 1 39 253.325 2 ↓

Analogs

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Popular Name: 2-[2-(4-isopropoxy-3-methoxy-phenyl)benzimidazol-1-yl]acetic 2-[2-(4-isopropoxy-3-methoxy-phe…

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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 1.05 -52.41 0 6 -1 76 339.371 6 ↓

Analogs

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Popular Name: 2-[2-(3-methoxy-4-propoxy-phenyl)benzimidazol-1-yl]acetic 2-[2-(3-methoxy-4-propoxy-phenyl…

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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) 3.38 0.82 -51.4 0 6 -1 76 339.371 7 ↓

Analogs

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Popular Name: (2E)-2-(3-bromo-5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-1-ethyl-N,N-dimethyl-3H-benzimidazole-5 (2E)-2-(3-bromo-5-methoxy-6-oxo-…

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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) 3.58 5.07 -16.32 1 7 0 85 454.346 5 ↓

Analogs

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Popular Name: 2-[2-(5-chloro-2-propoxy-phenyl)benzimidazol-1-yl]acetic 2-[2-(5-chloro-2-propoxy-phenyl)…

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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) 4.40 0.55 -55.19 0 5 -1 67 343.79 6 ↓

Analogs

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Popular Name: 2-[2-[4-(3-dimethylaminopropoxy)-3-methoxy-phenyl]benzimidazol-1-yl]acetic 2-[2-[4-(3-dimethylaminopropoxy)…

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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 1.39 -72.15 1 7 0 81 383.448 9 ↓

Analogs

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Popular Name: 2-[2-(3-propoxyphenyl)benzimidazol-1-yl]acetic 2-[2-(3-propoxyphenyl)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) 3.77 0.49 -58.78 0 5 -1 67 309.345 6 ↓

Analogs

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Popular Name: 2-[2-[2-(3-dimethylaminopropoxy)-4-methoxy-phenyl]benzimidazol-1-yl]acetic 2-[2-[2-(3-dimethylaminopropoxy)…

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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) 3.20 1.29 -70.44 1 7 0 81 383.448 9 ↓

Analogs

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Popular Name: 2-[2-(3-ethoxy-4-propoxy-phenyl)benzimidazol-1-yl]acetic 2-[2-(3-ethoxy-4-propoxy-phenyl)…

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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) 3.76 0.8 -52.92 0 6 -1 76 353.398 8 ↓

Analogs

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Popular Name: 2-[2-[4-(3-dimethylaminopropoxy)phenyl]benzimidazol-1-yl]acetic 2-[2-[4-(3-dimethylaminopropoxy)…

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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) 3.22 1.09 -73.1 1 6 0 72 353.422 8 ↓

Analogs

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Popular Name: 2-[2-(3-hexoxyphenyl)benzimidazol-1-yl]acetic 2-[2-(3-hexoxyphenyl)benzimidazo…

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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) 5.34 0.85 -58.69 0 5 -1 67 351.426 9 ↓

Analogs

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Popular Name: 2-[2-(3-ethoxy-4-pentoxy-phenyl)benzimidazol-1-yl]acetic 2-[2-(3-ethoxy-4-pentoxy-phenyl)…

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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) 4.82 1.07 -51.14 0 6 -1 76 381.452 10 ↓

Analogs

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Popular Name: 2-[2-(2-butoxy-4-methoxy-phenyl)benzimidazol-1-yl]acetic 2-[2-(2-butoxy-4-methoxy-phenyl)…

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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) 4.34 0.85 -57.31 0 6 -1 76 353.398 8 ↓

Analogs

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Popular Name: 2-[2-(3-hexoxy-4-methoxy-phenyl)benzimidazol-1-yl]acetic 2-[2-(3-hexoxy-4-methoxy-phenyl)…

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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) 4.95 1.15 -54.65 0 6 -1 76 381.452 10 ↓

Analogs

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Popular Name: 2-[2-(2-ethoxy-4-methoxy-phenyl)benzimidazol-1-yl]acetic 2-[2-(2-ethoxy-4-methoxy-phenyl)…

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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) 3.28 0.65 -57.3 0 6 -1 76 325.344 6 ↓

Analogs

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Popular Name: 2-[2-(5-chloro-2-hexoxy-phenyl)benzimidazol-1-yl]acetic 2-[2-(5-chloro-2-hexoxy-phenyl)b…

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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) 5.97 0.91 -55.1 0 5 -1 67 385.871 9 ↓

Analogs

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Popular Name: 2-[2-(3-chloro-5-ethoxy-4-propoxy-phenyl)benzimidazol-1-yl]acetic 2-[2-(3-chloro-5-ethoxy-4-propox…

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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) 4.56 0.84 -51.14 0 6 -1 76 387.843 8 ↓

Analogs

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Popular Name: 2-[2-(2-butoxy-5-chloro-phenyl)benzimidazol-1-yl]acetic 2-[2-(2-butoxy-5-chloro-phenyl)b…

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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) 4.96 0.67 -55.21 0 5 -1 67 357.817 7 ↓

Analogs

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Popular Name: 2-[2-(3-bromo-4,5-dimethoxy-phenyl)benzimidazol-1-yl]acetic 2-[2-(3-bromo-4,5-dimethoxy-phen…

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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) 3.44 0.21 -51.25 0 6 -1 76 390.213 5 ↓

Analogs

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Popular Name: 2-[2-[2-(2-dimethylaminoethoxy)-4-methoxy-phenyl]benzimidazol-1-yl]acetic 2-[2-[2-(2-dimethylaminoethoxy)-…

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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) 2.93 1.33 -55.57 1 7 0 81 369.421 8 ↓

Analogs

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Popular Name: 2-[2-(3-methoxy-4-pentoxy-phenyl)benzimidazol-1-yl]acetic 2-[2-(3-methoxy-4-pentoxy-phenyl…

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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) 4.45 1.06 -51.25 0 6 -1 76 367.425 9 ↓

Analogs

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Popular Name: 2-[2-(4-methoxy-2-pentoxy-phenyl)benzimidazol-1-yl]acetic 2-[2-(4-methoxy-2-pentoxy-phenyl…

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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) 4.84 0.97 -57.1 0 6 -1 76 367.425 9 ↓

Analogs

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Popular Name: 2-[2-[2-(2-diethylaminoethoxy)-3-methoxy-phenyl]benzimidazol-1-yl]acetic 2-[2-[2-(2-diethylaminoethoxy)-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) 3.46 1.67 -63.39 1 7 0 81 397.475 10 ↓

Analogs

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Popular Name: 2-[2-(3-ethoxy-4-hexoxy-phenyl)benzimidazol-1-yl]acetic 2-[2-(3-ethoxy-4-hexoxy-phenyl)b…

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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) 5.33 1.19 -51.11 0 6 -1 76 395.479 11 ↓

Analogs

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Popular Name: 2-(3-fluorophenyl)-1H-benzimidazol-5-amine 2-(3-fluorophenyl)-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) 2.74 5.01 -8.11 3 3 0 55 227.242 1 ↓
Lo Low (pH 4.5-6) 2.74 5.41 -27.65 4 3 1 56 228.25 1 ↓

Analogs

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Popular Name: N-[2-(4-fluorophenyl)-1H-benzimidazol-5-yl]-5-ureido-pentanamide N-[2-(4-fluorophenyl)-1H-benzimi…

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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) 2.97 3.94 -21.17 5 7 0 113 369.4 7 ↓
Lo Low (pH 4.5-6) 2.97 3.95 -23.49 5 7 0 113 369.4 7 ↓
Lo Low (pH 4.5-6) 2.97 4.36 -45.12 6 7 1 114 370.408 7 ↓

Analogs

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Popular Name: 6-acetamido-3-ethyl-N-(2-methoxyethyl)-2-(3-methoxyphenyl)-N-methyl-benzimidazole-4-carboxamide 6-acetamido-3-ethyl-N-(2-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) 2.10 -0.81 -19.2 1 8 0 86 424.501 8 ↓

Analogs

11839649
11839649

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Popular Name: 7-[(2-methoxyacetyl)amino]-N-[(1R)-2-methoxy-1-methyl-ethyl]-1-methyl-2-phenyl-benzimidazole-5-carbo 7-[(2-methoxyacetyl)amino]-N-[(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) 2.19 -1.77 -22.4 2 8 0 94 410.474 8 ↓

Analogs

11839648
11839648

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Popular Name: 7-[(2-methoxyacetyl)amino]-N-[(1S)-2-methoxy-1-methyl-ethyl]-1-methyl-2-phenyl-benzimidazole-5-carbo 7-[(2-methoxyacetyl)amino]-N-[(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) 2.19 -1.84 -23.03 2 8 0 94 410.474 8 ↓

Analogs

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Popular Name: 6-acetamido-N-(2-acetamidoethyl)-3-ethyl-2-(3-methoxyphenyl)benzimidazole-4-carboxamide 6-acetamido-N-(2-acetamidoethyl)…

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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) 1.48 -4.53 -19.96 3 9 0 114 437.5 8 ↓

Analogs

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Popular Name: 6-acetamido-N-(2-diethylaminoethyl)-3-ethyl-2-(3-methoxyphenyl)-N-methyl-benzimidazole-4-carboxamide 6-acetamido-N-(2-diethylaminoeth…

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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) 2.89 0.28 -53.63 2 8 1 81 466.606 10 ↓

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-7-[(2-methoxyacetyl)amino]-1-methyl-2-phenyl-benzimidazole-5-carboxamide N-(2-dimethylaminoethyl)-7-[(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) 1.90 -1.3 -53.49 3 8 1 90 410.498 8 ↓

Analogs

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Popular Name: 6-acetamido-3-ethyl-2-(3-methoxyphenyl)-N-(3-methylsulfanylpropyl)benzimidazole-4-carboxamide 6-acetamido-3-ethyl-2-(3-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) 3.13 -2.54 -14.9 2 7 0 85 440.569 9 ↓

Analogs

36147127
36147127

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Popular Name: (2S)-2-acetamido-N-[4-(1H-benzimidazol-2-yl)phenyl]-3-methyl-butanamide (2S)-2-acetamido-N-[4-(1H-benzim…

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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) 2.98 6.77 -15.2 3 6 0 87 350.422 5 ↓

Analogs

36147124
36147124

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Popular Name: (2R)-2-acetamido-N-[4-(1H-benzimidazol-2-yl)phenyl]-3-methyl-butanamide (2R)-2-acetamido-N-[4-(1H-benzim…

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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) 2.98 6.54 -14.99 3 6 0 87 350.422 5 ↓

Analogs

4385915
4385915

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Popular Name: 4-[4-(5-methyl-1H-benzimidazol-2-yl)anilino]-4-oxo-butanoic 4-[4-(5-methyl-1H-benzimidazol-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) 2.94 8.11 -49.55 2 6 -1 98 322.344 5 ↓
Lo Low (pH 4.5-6) 2.94 6.56 -32.93 4 6 1 96 324.36 5 ↓
Lo Low (pH 4.5-6) 2.94 8.54 -59.71 3 6 0 99 323.352 5 ↓

Analogs

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Popular Name: 5-[2-(5-methyl-1H-benzimidazol-2-yl)anilino]-5-oxo-pentanoic 5-[2-(5-methyl-1H-benzimidazol-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) 3.39 9.73 -57.64 2 6 -1 98 336.371 6 ↓
Lo Low (pH 4.5-6) 3.39 9.86 -64.59 3 6 0 99 337.379 6 ↓

Analogs

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Popular Name: 5-[4-(5-methyl-1H-benzimidazol-2-yl)anilino]-5-oxo-pentanoic 5-[4-(5-methyl-1H-benzimidazol-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) 3.44 8.9 -57.58 2 6 -1 98 336.371 6 ↓
Lo Low (pH 4.5-6) 3.44 9.32 -67.01 3 6 0 99 337.379 6 ↓

Analogs

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Popular Name: 1-[2-(4-methoxyphenyl)-1H-benzimidazol-5-yl]ethanone 1-[2-(4-methoxyphenyl)-1H-benzim…

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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 6.83 -15.37 1 4 0 55 266.3 3 ↓
Lo Low (pH 4.5-6) 3.48 7.25 -34.05 2 4 1 56 267.308 3 ↓

Analogs

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Popular Name: 4-(6-ethyl-1H-benzimidazol-2-yl)aniline 4-(6-ethyl-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) 3.51 6.36 -9.06 3 3 0 55 237.306 2 ↓
Mid Mid (pH 6-8) 3.51 6.78 -24.33 4 3 1 56 238.314 2 ↓

Analogs

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Popular Name: 4-(6-tert-butyl-1H-benzimidazol-2-yl)aniline 4-(6-tert-butyl-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) 4.30 7.26 -8.7 3 3 0 55 265.36 2 ↓
Mid Mid (pH 6-8) 4.30 7.68 -24.39 4 3 1 56 266.368 2 ↓

Analogs

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Popular Name: 3-acetamido-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]propanamide 3-acetamido-N-[4-[1-(difluoromet…

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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) 2.77 6.27 -26.98 2 6 0 76 372.375 6 ↓
Lo Low (pH 4.5-6) 2.77 6.7 -40.59 3 6 1 77 373.383 6 ↓

Analogs

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Popular Name: 2-chloro-5-methoxy-4-(6-methyl-1H-benzimidazol-2-yl)aniline 2-chloro-5-methoxy-4-(6-methyl-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) 4.04 5.9 -10.29 3 4 0 64 287.75 2 ↓

Analogs

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Popular Name: 2-chloro-4-(5,6-difluoro-1H-benzimidazol-2-yl)-5-methoxy-aniline 2-chloro-4-(5,6-difluoro-1H-benz…

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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) 3.85 5.36 -8.98 3 4 0 64 309.703 2 ↓

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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) 3.82 9.66 -18.48 1 6 0 73 387.386 8 ↓
Lo Low (pH 4.5-6) 3.82 10.06 -35.36 2 6 1 74 388.394 8 ↓

Analogs

39907879
39907879

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Popular Name: 3-[2-(2-chlorophenyl)benzimidazol-1-yl]propanenitrile 3-[2-(2-chlorophenyl)benzimidazo…

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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) 3.70 10.26 -12.29 0 3 0 42 281.746 3 ↓

Analogs

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Popular Name: 2-[4-[5-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]phenoxy]acetic 2-[4-[5-(trifluoromethylsulfonyl…

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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) 5.24 6.02 -51.28 1 7 -1 112 399.326 6 ↓

Analogs

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Popular Name: 2-[2-methoxy-4-[5-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]phenoxy]acetic 2-[2-methoxy-4-[5-(trifluorometh…

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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) 4.83 5.79 -55.94 1 8 -1 121 429.352 7 ↓

Analogs

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Popular Name: 2-[4-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)phenoxy]acetic 2-[4-(1-propyl-5-sulfamoyl-benzi…

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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) 2.46 4.79 -55.77 2 8 -1 127 388.425 7 ↓

Parameters Provided:

ring.id = 29353
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 = 29353 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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