UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4S)-4-(2-furyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (4S)-4-(2-furyl)-4,5,6,7-tetrahy…

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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) 1.04 3.93 -41.86 3 4 1 58 190.226 1 ↓
Hi High (pH 8-9.5) 1.04 2.64 -10.25 2 4 0 54 189.218 1 ↓

Analogs

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Popular Name: (4R)-4-(2-furyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (4R)-4-(2-furyl)-4,5,6,7-tetrahy…

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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) 1.04 3.92 -41.89 3 4 1 58 190.226 1 ↓
Hi High (pH 8-9.5) 1.04 2.62 -9.29 2 4 0 54 189.218 1 ↓

Analogs

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Popular Name: (4R)-4-(m-tolyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (4R)-4-(m-tolyl)-4,5,6,7-tetrahy…

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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) 2.21 6.53 -42.38 3 3 1 45 214.292 1 ↓
Hi High (pH 8-9.5) 2.21 5.45 -8.26 2 3 0 41 213.284 1 ↓
Lo Low (pH 4.5-6) 2.21 6.99 -102.02 4 3 2 47 215.3 1 ↓

Analogs

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Popular Name: (4S)-4-(m-tolyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (4S)-4-(m-tolyl)-4,5,6,7-tetrahy…

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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) 2.21 6.53 -42.34 3 3 1 45 214.292 1 ↓
Hi High (pH 8-9.5) 2.21 5.2 -7.99 2 3 0 41 213.284 1 ↓
Lo Low (pH 4.5-6) 2.21 6.99 -102 4 3 2 47 215.3 1 ↓

Analogs

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Popular Name: (4R)-4-(3-pyrazol-1-ylphenyl)-5-(3-pyridylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (4R)-4-(3-pyrazol-1-ylphenyl)-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) 2.10 9.51 -38.1 2 6 1 64 357.441 4 ↓
Mid Mid (pH 6-8) 2.10 9.04 -14.75 1 6 0 63 356.433 4 ↓
Mid Mid (pH 6-8) 2.10 10.83 -43.96 2 6 1 64 357.441 4 ↓

Analogs

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Popular Name: (4S)-4-(3-pyrazol-1-ylphenyl)-5-(3-pyridylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (4S)-4-(3-pyrazol-1-ylphenyl)-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) 2.10 9.59 -38.34 2 6 1 64 357.441 4 ↓
Mid Mid (pH 6-8) 2.10 9.12 -15.04 1 6 0 63 356.433 4 ↓
Mid Mid (pH 6-8) 2.10 10.92 -44.45 2 6 1 64 357.441 4 ↓

Analogs

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Popular Name: N,N-dimethyl-4-[(4S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-4-yl]aniline N,N-dimethyl-4-[(4S)-4,5,6,7-tet…

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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) 1.88 6.27 -42.43 3 4 1 49 243.334 2 ↓
Hi High (pH 8-9.5) 1.88 4.95 -8.87 2 4 0 44 242.326 2 ↓
Hi High (pH 8-9.5) 1.88 4.93 -7.4 2 4 0 44 242.326 2 ↓

Analogs

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Popular Name: (4S)-5-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1H-imidazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]p (4S)-5-[(3-cyclohexyl-1H-pyrazol…

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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) 2.09 7.24 -41.62 4 7 1 91 352.466 4 ↓
Hi High (pH 8-9.5) 2.09 6.77 -13.79 3 7 0 89 351.458 4 ↓
Mid Mid (pH 6-8) 2.09 8.93 -46.91 4 7 1 90 352.466 4 ↓

Analogs

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Popular Name: (4R)-5-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1H-imidazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]p (4R)-5-[(3-cyclohexyl-1H-pyrazol…

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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) 2.09 7.29 -39.2 4 7 1 91 352.466 4 ↓
Hi High (pH 8-9.5) 2.09 6.83 -11.4 3 7 0 89 351.458 4 ↓
Mid Mid (pH 6-8) 2.09 8.91 -43.18 4 7 1 90 352.466 4 ↓

Analogs

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Popular Name: (4R)-4-(2-chloro-6-fluoro-phenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (4R)-4-(2-chloro-6-fluoro-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) 2.53 6.33 -30.92 3 3 1 42 252.7 1 ↓
Mid Mid (pH 6-8) 2.53 5.87 -9.26 2 3 0 41 251.692 1 ↓
Mid Mid (pH 6-8) 2.53 6.32 -35.78 3 3 1 45 252.7 1 ↓

Analogs

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Popular Name: (4R,6R)-4-(2-carboxyethyl)-3,5,6,7-tetrahydroimidazo[5,4-c]pyridine-4,6-dicarboxylic (4R,6R)-4-(2-carboxyethyl)-3,5,6…

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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) -2.93 4.91 -161.55 3 9 -2 162 281.224 5 ↓
Hi High (pH 8-9.5) -2.93 4.5 -195.24 2 9 -3 161 280.216 5 ↓
Mid Mid (pH 6-8) -2.93 5.9 -105.22 4 9 -1 167 282.232 5 ↓

Analogs

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Popular Name: (4R,6S)-4-(2-carboxyethyl)-3,5,6,7-tetrahydroimidazo[5,4-c]pyridine-4,6-dicarboxylic (4R,6S)-4-(2-carboxyethyl)-3,5,6…

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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) -2.93 5.09 -156.9 3 9 -2 162 281.224 5 ↓
Hi High (pH 8-9.5) -2.93 4.62 -205.92 2 9 -3 161 280.216 5 ↓
Mid Mid (pH 6-8) -2.93 3.1 -107.87 4 9 -1 167 282.232 5 ↓

Analogs

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Popular Name: (4S,6R)-4-(2-carboxyethyl)-3,5,6,7-tetrahydroimidazo[5,4-c]pyridine-4,6-dicarboxylic (4S,6R)-4-(2-carboxyethyl)-3,5,6…

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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) -2.93 5.07 -157.48 3 9 -2 162 281.224 5 ↓
Hi High (pH 8-9.5) -2.93 4.67 -191.73 2 9 -3 161 280.216 5 ↓
Mid Mid (pH 6-8) -2.93 5.52 -113.87 3 9 -2 166 281.224 5 ↓

Analogs

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Popular Name: 110342-24-0; C08475; Cucumopine 110342-24-0; C08475; Cucumopine

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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 4.79 -159.01 3 9 -2 162 281.224 5 ↓
Hi High (pH 8-9.5) -2.93 4.3 -194.09 2 9 -3 161 280.216 5 ↓
Lo Low (pH 4.5-6) -2.93 5.88 -104.75 4 9 -1 167 282.232 5 ↓

Analogs

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Popular Name: (6R)-5-(4-methoxyphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[5,4-d]pyridine-6-carboxylic (6R)-5-(4-methoxyphenyl)sulfonyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MMP3-1-E Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic Eukaryotes 10000 0.29 Binding ≤ 10μM
MMP8-1-E Matrix Metalloproteinase 8 (cluster #1 Of 4), Eukaryotic Eukaryotes 10000 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MMP8_HUMAN P22894 Matrix Metalloproteinase 8, Human 1000 0.35 Binding ≤ 1μM
MMP3_HUMAN P08254 Matrix Metalloproteinase 3, Human 10000 0.29 Binding ≤ 10μM
MMP8_HUMAN P22894 Matrix Metalloproteinase 8, Human 1000 0.35 Binding ≤ 10μM

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 6.1 -54.87 0 8 -1 105 350.376 4 ↓
Mid Mid (pH 6-8) -1.78 6.57 -64.19 1 8 0 106 351.384 4 ↓

Analogs

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Popular Name: (6R)-5-(4-methoxyphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[5,4-d]pyridine-6-carbohydroxamic (6R)-5-(4-methoxyphenyl)sulfonyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MMP3-1-E Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic Eukaryotes 20 0.43 Binding ≤ 10μM
MMP8-1-E Matrix Metalloproteinase 8 (cluster #1 Of 4), Eukaryotic Eukaryotes 3 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MMP3_HUMAN P08254 Matrix Metalloproteinase 3, Human 20 0.43 Binding ≤ 1μM
MMP8_HUMAN P22894 Matrix Metalloproteinase 8, Human 3 0.48 Binding ≤ 1μM
MMP3_HUMAN P08254 Matrix Metalloproteinase 3, Human 20 0.43 Binding ≤ 10μM
MMP8_HUMAN P22894 Matrix Metalloproteinase 8, Human 3 0.48 Binding ≤ 10μM

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) -0.79 2.26 -20.01 2 9 0 114 366.399 4 ↓
Hi High (pH 8-9.5) -0.79 3.49 -61.9 1 9 -1 117 365.391 4 ↓
Hi High (pH 8-9.5) -0.60 1.64 -56.32 1 9 -1 120 365.391 4 ↓

Analogs

15936394
15936394

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Popular Name: [5-[(2-methylsulfanylphenoxy)methyl]isoxazol-3-yl]-[(4R)-4-(2-pyridyl)-1,4,6,7-tetrahydroimidazo[4,5 [5-[(2-methylsulfanylphenoxy)met…

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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 10.4 -18.58 1 8 0 97 447.52 6 ↓
Mid Mid (pH 6-8) 2.89 10.88 -44.87 2 8 1 98 448.528 6 ↓

Analogs

15936393
15936393

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Popular Name: [5-[(2-methylsulfanylphenoxy)methyl]isoxazol-3-yl]-[(4S)-4-(2-pyridyl)-1,4,6,7-tetrahydroimidazo[4,5 [5-[(2-methylsulfanylphenoxy)met…

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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 10.45 -18.18 1 8 0 97 447.52 6 ↓
Mid Mid (pH 6-8) 2.89 10.91 -43.1 2 8 1 98 448.528 6 ↓

Analogs

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Popular Name: 4-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5,6-dimethyl-thieno[2,3-d]pyrimidine 4-(1-cyclopropyl-6,7-dihydro-4H-…

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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 12.15 -35.95 1 5 1 48 326.449 2 ↓
Hi High (pH 8-9.5) 2.46 11.67 -11.54 0 5 0 47 325.441 2 ↓

Analogs

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Popular Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5 N-[[(3R)-2,3-dihydro-1,4-benzodi…

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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 5.79 -36.16 2 7 1 70 343.407 4 ↓
Hi High (pH 8-9.5) 0.22 5.33 -19.04 1 7 0 69 342.399 4 ↓
Lo Low (pH 4.5-6) 0.22 7.49 -49.13 2 7 1 70 343.407 4 ↓

Analogs

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Popular Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5 N-[[(3S)-2,3-dihydro-1,4-benzodi…

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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 5.84 -36.45 2 7 1 70 343.407 4 ↓
Hi High (pH 8-9.5) 0.22 5.38 -18.64 1 7 0 69 342.399 4 ↓
Lo Low (pH 4.5-6) 0.22 7.54 -48.69 2 7 1 70 343.407 4 ↓

Analogs

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Popular Name: 2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-[(3R)-2-oxoazepan-3-yl]acetamide 2-(1-methyl-6,7-dihydro-4H-imida…

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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) -0.92 3.84 -43.19 3 7 1 81 306.39 3 ↓
Hi High (pH 8-9.5) -0.92 3.38 -27.63 2 7 0 79 305.382 3 ↓
Lo Low (pH 4.5-6) -0.92 5.53 -60.01 3 7 1 80 306.39 3 ↓

Analogs

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Popular Name: 2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-[(3S)-2-oxoazepan-3-yl]acetamide 2-(1-methyl-6,7-dihydro-4H-imida…

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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) -0.92 3.07 -37 3 7 1 81 306.39 3 ↓
Hi High (pH 8-9.5) -0.92 2.6 -23.22 2 7 0 79 305.382 3 ↓
Lo Low (pH 4.5-6) -0.92 4.76 -49.16 3 7 1 80 306.39 3 ↓

Analogs

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Popular Name: 4-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-2-(3-thienyl)thiazole 4-[(1-cyclopropyl-6,7-dihydro-4H…

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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) 2.76 9.28 -29.35 1 4 1 35 343.501 4 ↓
Hi High (pH 8-9.5) 2.76 8.82 -12.84 0 4 0 34 342.493 4 ↓
Mid Mid (pH 6-8) 2.76 11.54 -95.96 2 4 2 36 344.509 4 ↓

Analogs

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Popular Name: 2-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-3-methyl-quinoxaline 2-[(1-cyclopropyl-6,7-dihydro-4H…

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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) 2.34 8.29 -33.17 1 5 1 48 320.42 3 ↓
Hi High (pH 8-9.5) 2.34 7.82 -16.4 0 5 0 47 319.412 3 ↓
Lo Low (pH 4.5-6) 2.34 10.53 -102.54 2 5 2 49 321.428 3 ↓

Analogs

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Popular Name: 2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyridine-3-carbonitrile 2-(1-cyclopropyl-6,7-dihydro-4H-…

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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) 1.19 9.91 -31.87 1 5 1 59 266.328 2 ↓
Hi High (pH 8-9.5) 1.19 9.44 -12.74 0 5 0 58 265.32 2 ↓

Analogs

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Popular Name: (2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylphenoxy)propan-2-ol (2R)-1-(1-cyclopropyl-6,7-dihydr…

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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) 2.17 7.23 -32.13 2 5 1 52 328.436 6 ↓
Hi High (pH 8-9.5) 2.17 6.77 -13.55 1 5 0 51 327.428 6 ↓
Mid Mid (pH 6-8) 2.17 9.52 -102.17 3 5 2 53 329.444 6 ↓

Analogs

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Popular Name: (2S)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylphenoxy)propan-2-ol (2S)-1-(1-cyclopropyl-6,7-dihydr…

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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) 2.17 7.33 -33.53 2 5 1 52 328.436 6 ↓
Hi High (pH 8-9.5) 2.17 6.87 -11.31 1 5 0 51 327.428 6 ↓
Mid Mid (pH 6-8) 2.17 9.6 -103.59 3 5 2 53 329.444 6 ↓

Analogs

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Popular Name: (2S)-1-[(2-chlorophenyl)methoxy]-3-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-2-ol (2S)-1-[(2-chlorophenyl)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) 1.04 6.38 -34.13 2 5 1 52 336.843 6 ↓
Hi High (pH 8-9.5) 1.04 5.92 -11.31 1 5 0 51 335.835 6 ↓
Mid Mid (pH 6-8) 1.04 8.64 -100.89 3 5 2 53 337.851 6 ↓

Analogs

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Popular Name: (2R)-1-[(2-chlorophenyl)methoxy]-3-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-2-ol (2R)-1-[(2-chlorophenyl)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) 1.04 6.29 -33.28 2 5 1 52 336.843 6 ↓
Hi High (pH 8-9.5) 1.04 5.82 -13.14 1 5 0 51 335.835 6 ↓
Mid Mid (pH 6-8) 1.04 8.57 -100.02 3 5 2 53 337.851 6 ↓

Analogs

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Popular Name: 4-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-2-(2-thienyl)thiazole 4-[(1-cyclopropyl-6,7-dihydro-4H…

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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 9.47 -29.49 1 4 1 35 343.501 4 ↓
Hi High (pH 8-9.5) 2.95 9 -14.69 0 4 0 34 342.493 4 ↓
Mid Mid (pH 6-8) 2.95 11.71 -95.04 2 4 2 36 344.509 4 ↓

Analogs

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Popular Name: 1-cyclopropyl-5-[(1S)-1-(2,6-difluorophenyl)ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine 1-cyclopropyl-5-[(1S)-1-(2,6-dif…

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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) 2.87 10.56 -27.98 1 3 1 22 304.364 3 ↓
Hi High (pH 8-9.5) 2.87 10.1 -9.55 0 3 0 21 303.356 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-5-[(1R)-1-(2,6-difluorophenyl)ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine 1-cyclopropyl-5-[(1R)-1-(2,6-dif…

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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) 2.87 10.64 -28.22 1 3 1 22 304.364 3 ↓
Hi High (pH 8-9.5) 2.87 10.18 -10.01 0 3 0 21 303.356 3 ↓

Analogs

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Popular Name: 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-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) 2.21 10.28 -30.08 1 5 1 43 343.495 3 ↓
Hi High (pH 8-9.5) 2.21 9.82 -15.33 0 5 0 41 342.487 3 ↓
Lo Low (pH 4.5-6) 2.21 11.98 -45.4 1 5 1 43 343.495 3 ↓

Analogs

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Popular Name: 1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4 1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-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) 2.21 10.2 -29.42 1 5 1 43 343.495 3 ↓
Hi High (pH 8-9.5) 2.21 9.73 -13.76 0 5 0 41 342.487 3 ↓
Lo Low (pH 4.5-6) 2.21 11.9 -46.59 1 5 1 43 343.495 3 ↓

Analogs

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Popular Name: (2S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methyl-1-piperidyl)propan-2-ol (2S)-1-(1-methyl-6,7-dihydro-4H-…

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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) 0.01 6.29 -80.53 3 5 2 47 294.443 4 ↓
Hi High (pH 8-9.5) 0.01 5.83 -40.61 2 5 1 46 293.435 4 ↓

Analogs

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Popular Name: (2R)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methyl-1-piperidyl)propan-2-ol (2R)-1-(1-methyl-6,7-dihydro-4H-…

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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) 0.01 6.34 -78.88 3 5 2 47 294.443 4 ↓
Hi High (pH 8-9.5) 0.01 5.88 -42.58 2 5 1 46 293.435 4 ↓

Analogs

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Popular Name: 4-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine 4-(1-methyl-6,7-dihydro-4H-imida…

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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) -0.09 8.7 -36.18 2 6 1 64 255.305 1 ↓
Hi High (pH 8-9.5) -0.09 8.23 -13.94 1 6 0 63 254.297 1 ↓
Lo Low (pH 4.5-6) -0.09 9.17 -76.26 3 6 2 65 256.313 1 ↓

Analogs

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Popular Name: 1-methyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine 1-methyl-5-[2-(2,2,2-trifluoroet…

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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) 0.38 5.4 -33.48 1 4 1 32 264.271 5 ↓
Hi High (pH 8-9.5) 0.38 4.94 -11.06 0 4 0 30 263.263 5 ↓

Analogs

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Popular Name: 1-methyl-5-[2-(2-pyridyl)ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine 1-methyl-5-[2-(2-pyridyl)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) 0.11 6.88 -33.25 1 4 1 35 243.334 3 ↓
Hi High (pH 8-9.5) 0.11 6.42 -10.06 0 4 0 34 242.326 3 ↓
Lo Low (pH 4.5-6) 0.11 8.66 -38.68 1 4 1 35 243.334 3 ↓

Analogs

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Popular Name: 2-[3-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]phenoxy]acetamide 2-[3-[(1-methyl-6,7-dihydro-4H-i…

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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 5.23 -40.96 3 6 1 75 301.37 5 ↓
Hi High (pH 8-9.5) -0.36 4.77 -18.95 2 6 0 73 300.362 5 ↓
Lo Low (pH 4.5-6) -0.36 6.99 -48.43 3 6 1 75 301.37 5 ↓

Analogs

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Popular Name: 1-cyclopropyl-5-[2-(2-pyridyl)ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine 1-cyclopropyl-5-[2-(2-pyridyl)et…

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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) 1.32 8.28 -31.22 1 4 1 35 269.372 4 ↓
Hi High (pH 8-9.5) 1.32 7.82 -9.35 0 4 0 34 268.364 4 ↓
Mid Mid (pH 6-8) 1.32 10.04 -38.36 1 4 1 35 269.372 4 ↓

Analogs

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Popular Name: (2S)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-morpholino-propan-2-ol (2S)-1-(1-cyclopropyl-6,7-dihydr…

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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) -0.09 2.43 -31.76 2 6 1 55 307.418 5 ↓
Hi High (pH 8-9.5) -0.09 1.96 -10.14 1 6 0 54 306.41 5 ↓
Mid Mid (pH 6-8) -0.09 4.65 -101.41 3 6 2 56 308.426 5 ↓

Analogs

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Popular Name: (2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-morpholino-propan-2-ol (2R)-1-(1-cyclopropyl-6,7-dihydr…

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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) -0.09 2.31 -31.13 2 6 1 55 307.418 5 ↓
Hi High (pH 8-9.5) -0.09 1.85 -11.32 1 6 0 54 306.41 5 ↓
Mid Mid (pH 6-8) -0.09 4.61 -100.74 3 6 2 56 308.426 5 ↓

Analogs

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Popular Name: 2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(1-cyclopropyl-4-piperidyl)acetamide 2-(1-cyclopropyl-6,7-dihydro-4H-…

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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) 1.07 8.38 -44.29 2 6 1 55 344.483 5 ↓
Mid Mid (pH 6-8) 1.07 8.84 -73.62 3 6 2 56 345.491 5 ↓
Lo Low (pH 4.5-6) 1.07 10.55 -92.07 3 6 2 56 345.491 5 ↓

Analogs

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Popular Name: (2S)-3,3-dimethyl-1-[1-methyl-2-(2-thienyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]butan-2-ol (2S)-3,3-dimethyl-1-[1-methyl-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) 3.27 6.03 -24.38 2 4 1 43 320.482 4 ↓
Hi High (pH 8-9.5) 3.27 5.55 -11.34 1 4 0 41 319.474 4 ↓

Analogs

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Popular Name: (2R)-3,3-dimethyl-1-[1-methyl-2-(2-thienyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]butan-2-ol (2R)-3,3-dimethyl-1-[1-methyl-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) 3.27 6.12 -24.7 2 4 1 43 320.482 4 ↓
Hi High (pH 8-9.5) 3.27 5.64 -9.54 1 4 0 41 319.474 4 ↓

Analogs

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Popular Name: 2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(1-ethyl-4-piperidyl)acetamide 2-(1-cyclopropyl-6,7-dihydro-4H-…

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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) 1.08 7.64 -45.64 2 6 1 55 332.472 5 ↓
Mid Mid (pH 6-8) 1.08 8.1 -74.76 3 6 2 56 333.48 5 ↓
Lo Low (pH 4.5-6) 1.08 9.81 -92.75 3 6 2 56 333.48 5 ↓

Analogs

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Popular Name: 4-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-2-(1-methylpyrazol-4-yl)thiazole 4-[(1-cyclopropyl-6,7-dihydro-4H…

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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) 1.55 8.21 -31.41 1 6 1 53 341.464 4 ↓
Hi High (pH 8-9.5) 1.55 7.74 -16.43 0 6 0 52 340.456 4 ↓
Mid Mid (pH 6-8) 1.55 10.46 -96.35 2 6 2 54 342.472 4 ↓

Analogs

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Popular Name: 2-[2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethoxy]benzonitrile 2-[2-(1-methyl-6,7-dihydro-4H-im…

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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) 0.86 7.96 -36.71 1 5 1 55 283.355 4 ↓
Hi High (pH 8-9.5) 0.86 7.49 -14.95 0 5 0 54 282.347 4 ↓

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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 = 26506 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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