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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: 2-[(3S)-3-methylpyrrolidin-3-yl]-6,7-dihydro-3H-[1,4]dioxino[2,3-f]benzimidazole 2-[(3S)-3-methylpyrrolidin-3-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) 1.53 3.57 -46.49 3 5 1 64 260.317 1 ↓
Lo Low (pH 4.5-6) 1.53 3.87 -99.72 4 5 2 65 261.325 1 ↓

Analogs

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Popular Name: 2-[(3R)-3-methylpyrrolidin-3-yl]-6,7-dihydro-3H-[1,4]dioxino[2,3-f]benzimidazole 2-[(3R)-3-methylpyrrolidin-3-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) 1.53 3.72 -44.53 3 5 1 64 260.317 1 ↓
Lo Low (pH 4.5-6) 1.53 3.93 -100.35 4 5 2 65 261.325 1 ↓

Analogs

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Popular Name: 2-[(3S)-3-ethylpyrrolidin-3-yl]-6,7-dihydro-3H-[1,4]dioxino[2,3-f]benzimidazole 2-[(3S)-3-ethylpyrrolidin-3-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) 1.86 4.29 -47.2 3 5 1 64 274.344 2 ↓
Lo Low (pH 4.5-6) 1.86 4.08 -100.15 4 5 2 65 275.352 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-ethylpyrrolidin-3-yl]-6,7-dihydro-3H-[1,4]dioxino[2,3-f]benzimidazole 2-[(3R)-3-ethylpyrrolidin-3-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) 1.86 3.99 -45.28 3 5 1 64 274.344 2 ↓
Lo Low (pH 4.5-6) 1.86 4.21 -100.51 4 5 2 65 275.352 2 ↓

Analogs

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Popular Name: 2-[(3S)-3-propylpyrrolidin-3-yl]-6,7-dihydro-3H-[1,4]dioxino[2,3-f]benzimidazole 2-[(3S)-3-propylpyrrolidin-3-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) 2.41 5.05 -47.74 3 5 1 64 288.371 3 ↓
Lo Low (pH 4.5-6) 2.41 4.84 -101.94 4 5 2 65 289.379 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-propylpyrrolidin-3-yl]-6,7-dihydro-3H-[1,4]dioxino[2,3-f]benzimidazole 2-[(3R)-3-propylpyrrolidin-3-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) 2.41 4.77 -45.72 3 5 1 64 288.371 3 ↓
Lo Low (pH 4.5-6) 2.41 4.99 -102.11 4 5 2 65 289.379 3 ↓

Parameters Provided:

ring.id = 307690
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 = 307690 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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