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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: (4S)-4-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (4S)-4-(4-ethoxyphenyl)-4,5,6,7-…

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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 6.08 -45.37 3 4 1 55 244.318 3 ↓
Hi High (pH 8-9.5) 2.21 4.75 -8.69 2 4 0 50 243.31 3 ↓
Lo Low (pH 4.5-6) 2.21 6.54 -105.2 4 4 2 56 245.326 3 ↓

Analogs

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Popular Name: (4R,6S)-4-(3-fluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic (4R,6S)-4-(3-fluorophenyl)-4,5,6…

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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) -0.30 6.25 -36.01 3 5 0 85 261.256 2 ↓
Hi High (pH 8-9.5) -0.30 5.27 -48.66 2 5 -1 81 260.248 2 ↓
Lo Low (pH 4.5-6) -0.30 5.71 -44.11 3 5 0 82 261.256 2 ↓

Analogs

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Popular Name: 4-(4-methoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine 4-(4-methoxyphenyl)-4,5,6,7-tetr…

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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) 1.84 5.15 -45.51 3 4 1 55 230.291 2 ↓
Hi High (pH 8-9.5) 1.84 4.09 -9.16 2 4 0 50 229.283 2 ↓

Analogs

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Popular Name: 4-[(3aR,4R)-4,5,6,7-tetrahydro-3aH-imidazo[4,5-c]pyridin-4-yl]-3-chloro-phenol 4-[(3aR,4R)-4,5,6,7-tetrahydro-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) 1.91 3.11 -31.81 4 4 1 62 250.709 1 ↓
Mid Mid (pH 6-8) 1.91 2.7 -9.78 3 4 0 61 249.701 1 ↓

Analogs

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Popular Name: 4-[(3aR,4S)-4,5,6,7-tetrahydro-3aH-imidazo[4,5-c]pyridin-4-yl]-3-chloro-phenol 4-[(3aR,4S)-4,5,6,7-tetrahydro-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) 1.91 2.62 -34.23 4 4 1 62 250.709 1 ↓
Mid Mid (pH 6-8) 1.91 2.15 -9.63 3 4 0 61 249.701 1 ↓

Analogs

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Popular Name: N-[4-[(4S)-5-pentyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide N-[4-[(4S)-5-pentyl-1,4,6,7-tetr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.19 9.79 -43.92 3 5 1 62 327.452 6 ↓
Hi High (pH 8-9.5) 3.19 7.98 -14.44 2 5 0 61 326.444 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(4R)-5-pentyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide N-[4-[(4R)-5-pentyl-1,4,6,7-tetr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.19 9.8 -42.6 3 5 1 62 327.452 6 ↓
Hi High (pH 8-9.5) 3.19 7.99 -13.85 2 5 0 61 326.444 6 ↓

Parameters Provided:

ring.id = 11132
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 = 11132 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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