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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-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one 2-[2-[4-(2,2-difluoroethyl)piper…

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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) 1.76 6.18 -50.87 2 5 1 53 323.367 5 ↓
Hi High (pH 8-9.5) 2.22 1.52 -50.13 0 5 -1 55 321.351 5 ↓
Mid Mid (pH 6-8) 1.76 3.91 -11.88 1 5 0 52 322.359 5 ↓

Analogs

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Popular Name: 2-[2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one 2-[2-[(3R)-3-ethyl-4-(2-methoxye…

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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) 2.04 6.45 -47.59 2 6 1 63 345.467 7 ↓
Hi High (pH 8-9.5) 2.04 4.19 -9.65 1 6 0 61 344.459 7 ↓
Mid Mid (pH 6-8) 2.50 4.06 -50.51 1 6 0 66 344.459 7 ↓

Analogs

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Popular Name: 2-[2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one 2-[2-[(3S)-3-ethyl-4-(2-methoxye…

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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) 2.04 6.07 -50.21 2 6 1 63 345.467 7 ↓
Hi High (pH 8-9.5) 2.04 3.81 -10.52 1 6 0 61 344.459 7 ↓
Mid Mid (pH 6-8) 2.50 3.68 -51.94 1 6 0 66 344.459 7 ↓

Analogs

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Popular Name: 2-[2-[(3S)-4-(2-ethoxyethyl)-3-methyl-piperazin-1-yl]ethyl]-3H-quinazolin-4-one 2-[2-[(3S)-4-(2-ethoxyethyl)-3-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) 1.88 6.4 -49.98 2 6 1 63 345.467 7 ↓
Hi High (pH 8-9.5) 1.88 4.17 -10.51 1 6 0 61 344.459 7 ↓
Mid Mid (pH 6-8) 2.34 4.02 -52.06 1 6 0 66 344.459 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(3R)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]ethyl]-3H-quinazolin-4-one 2-[2-[(3R)-4-(2-methoxyethyl)-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) 1.50 5.85 -47.53 2 6 1 63 331.44 6 ↓
Hi High (pH 8-9.5) 1.50 3.6 -9.78 1 6 0 61 330.432 6 ↓
Mid Mid (pH 6-8) 1.50 5.77 -39.77 2 6 1 63 331.44 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(3S)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]ethyl]-3H-quinazolin-4-one 2-[2-[(3S)-4-(2-methoxyethyl)-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) 1.50 5.44 -50.11 2 6 1 63 331.44 6 ↓
Hi High (pH 8-9.5) 1.50 3.2 -10.51 1 6 0 61 330.432 6 ↓
Mid Mid (pH 6-8) 1.96 3.05 -52.19 1 6 0 66 330.432 6 ↓

Parameters Provided:

ring.id = 173353
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 = 173353 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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