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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-(chloromethyl)-3-[(1S,2R,4R)-2,4-dimethylcyclohexyl]quinazolin-4-one 2-(chloromethyl)-3-[(1S,2R,4R)-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) 3.89 10.35 -7.16 0 3 0 35 304.821 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(chloromethyl)-3-[(1S,2R,4S)-2,4-dimethylcyclohexyl]quinazolin-4-one 2-(chloromethyl)-3-[(1S,2R,4S)-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) 3.89 10.25 -9.24 0 3 0 35 304.821 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(chloromethyl)-3-[(1R,2R,4R)-2,4-dimethylcyclohexyl]quinazolin-4-one 2-(chloromethyl)-3-[(1R,2R,4R)-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) 3.89 10.9 -10.4 0 3 0 35 304.821 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(chloromethyl)-3-[(1R,2R,4S)-2,4-dimethylcyclohexyl]quinazolin-4-one 2-(chloromethyl)-3-[(1R,2R,4S)-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) 3.89 10.66 -9.91 0 3 0 35 304.821 2 ↓

Analogs

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Popular Name: 2-(chloromethyl)-3-cyclohexyl-quinazolin-4-one 2-(chloromethyl)-3-cyclohexyl-qu…

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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) 3.64 9.34 -10.5 0 3 0 35 276.767 2 ↓

Analogs

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Popular Name: 2-(chloromethyl)-3-[(1S,2R,3R)-2,3-dimethylcyclohexyl]quinazolin-4-one 2-(chloromethyl)-3-[(1S,2R,3R)-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) 4.12 10.15 -9.06 0 3 0 35 304.821 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(chloromethyl)-3-[(1S,2R,3S)-2,3-dimethylcyclohexyl]quinazolin-4-one 2-(chloromethyl)-3-[(1S,2R,3S)-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) 4.12 10.19 -7.38 0 3 0 35 304.821 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(chloromethyl)-3-[(1R,2R,3R)-2,3-dimethylcyclohexyl]quinazolin-4-one 2-(chloromethyl)-3-[(1R,2R,3R)-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) 4.12 10.54 -10.15 0 3 0 35 304.821 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(chloromethyl)-3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]quinazolin-4-one 2-(chloromethyl)-3-[(1R,2R,3S)-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) 4.12 10.76 -10.47 0 3 0 35 304.821 2 ↓

Analogs

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Popular Name: 2-(chloromethyl)-3-[(1S,2R)-2-methylcyclohexyl]quinazolin-4-one 2-(chloromethyl)-3-[(1S,2R)-2-me…

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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) 3.88 9.74 -7.68 0 3 0 35 290.794 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(chloromethyl)-3-[(1S,2S)-2-methylcyclohexyl]quinazolin-4-one 2-(chloromethyl)-3-[(1S,2S)-2-me…

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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) 3.88 10.29 -10.52 0 3 0 35 290.794 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(chloromethyl)-3-[(1R,2R)-2-methylcyclohexyl]quinazolin-4-one 2-(chloromethyl)-3-[(1R,2R)-2-me…

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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) 3.88 10.29 -10.51 0 3 0 35 290.794 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(chloromethyl)-3-[(1R,2S)-2-methylcyclohexyl]quinazolin-4-one 2-(chloromethyl)-3-[(1R,2S)-2-me…

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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) 3.88 9.74 -7.69 0 3 0 35 290.794 2 ↓

Analogs

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Popular Name: 2-(chloromethyl)-3-(4-methylcyclohexyl)quinazolin-4-one 2-(chloromethyl)-3-(4-methylcycl…

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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) 3.41 9.95 -10.43 0 3 0 35 290.794 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(chloromethyl)-3-[(1S,3R)-3-methylcyclohexyl]quinazolin-4-one 2-(chloromethyl)-3-[(1S,3R)-3-me…

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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) 3.65 9.94 -10.46 0 3 0 35 290.794 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(chloromethyl)-3-[(1S,3S)-3-methylcyclohexyl]quinazolin-4-one 2-(chloromethyl)-3-[(1S,3S)-3-me…

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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) 3.65 9.38 -7.61 0 3 0 35 290.794 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(chloromethyl)-3-[(1R,3R)-3-methylcyclohexyl]quinazolin-4-one 2-(chloromethyl)-3-[(1R,3R)-3-me…

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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) 3.65 9.38 -7.61 0 3 0 35 290.794 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(chloromethyl)-3-[(1R,3S)-3-methylcyclohexyl]quinazolin-4-one 2-(chloromethyl)-3-[(1R,3S)-3-me…

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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) 3.65 9.94 -10.45 0 3 0 35 290.794 2 ↓

Parameters Provided:

ring.id = 210551
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 = 210551 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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