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Analogs

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Popular Name: 4-methoxy-3-[[(4S)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carbonyl]amino]benzoic 4-methoxy-3-[[(4S)-2-oxo-3,4-dih…

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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 -135.59 1 9 -2 132 378.344 4 ↓
Mid Mid (pH 6-8) 1.99 6.68 -65.74 2 9 -1 129 379.352 4 ↓
Lo Low (pH 4.5-6) 2.00 5.73 -69.74 3 9 0 130 380.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-3-[[(4R)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carbonyl]amino]benzoic 4-methoxy-3-[[(4R)-2-oxo-3,4-dih…

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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 5.43 -113.88 1 9 -2 132 378.344 4 ↓
Mid Mid (pH 6-8) 1.99 7.3 -80.95 2 9 -1 129 379.352 4 ↓
Lo Low (pH 4.5-6) 2.00 5.16 -65.48 3 9 0 130 380.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(4S)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carbonyl]amino]benzoic 3-[[(4S)-2-oxo-3,4-dihydro-1H-py…

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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) 1.99 5.87 -82.12 2 8 -1 120 349.326 3 ↓
Ref Reference (pH 7) 1.99 6.6 -126.75 1 8 -2 122 348.318 3 ↓
Mid Mid (pH 6-8) 1.98 7.9 -76.6 2 8 -1 119 349.326 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(4R)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carbonyl]amino]benzoic 3-[[(4R)-2-oxo-3,4-dihydro-1H-py…

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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) 1.99 5.18 -70.37 2 8 -1 120 349.326 3 ↓
Ref Reference (pH 7) 1.99 5.92 -116.32 1 8 -2 122 348.318 3 ↓
Mid Mid (pH 6-8) 1.98 7.26 -69.59 2 8 -1 119 349.326 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-(2,5-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide (4R)-N-(2,5-dimethoxyphenyl)-2-o…

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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 3.41 -18.97 2 8 0 98 366.377 4 ↓
Ref Reference (pH 7) 2.15 4.15 -54.36 1 8 -1 101 365.369 4 ↓
Mid Mid (pH 6-8) 2.14 6.02 -26.53 2 8 0 98 366.377 4 ↓