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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)-1-cyclopentylethyl]quinazolin-4-one 2-(chloromethyl)-3-[(1S)-1-cyclo…

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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 10.06 -10.41 0 3 0 35 290.794 3 ↓

Analogs

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Popular Name: 2-(chloromethyl)-3-[(1R)-1-cyclopentylethyl]quinazolin-4-one 2-(chloromethyl)-3-[(1R)-1-cyclo…

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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 -10.39 0 3 0 35 290.794 3 ↓

Analogs

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Popular Name: 2-[(1S)-1-chloroethyl]-3-[(1S)-1-cyclopentylethyl]quinazolin-4-one 2-[(1S)-1-chloroethyl]-3-[(1S)-1…

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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) 4.24 10.34 -9.23 0 3 0 35 304.821 3 ↓

Analogs

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Popular Name: 2-[(1R)-1-chloroethyl]-3-[(1S)-1-cyclopentylethyl]quinazolin-4-one 2-[(1R)-1-chloroethyl]-3-[(1S)-1…

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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) 4.24 10.51 -8.14 0 3 0 35 304.821 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-chloroethyl]-3-[(1R)-1-cyclopentylethyl]quinazolin-4-one 2-[(1S)-1-chloroethyl]-3-[(1R)-1…

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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) 4.24 10.26 -9.39 0 3 0 35 304.821 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-chloroethyl]-3-[(1R)-1-cyclopentylethyl]quinazolin-4-one 2-[(1R)-1-chloroethyl]-3-[(1R)-1…

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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) 4.24 10.4 -9.28 0 3 0 35 304.821 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(chloromethyl)-3-(cyclopentylmethyl)quinazolin-4-one 2-(chloromethyl)-3-(cyclopentylm…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.52 9.41 -10.55 0 3 0 35 276.767 3 ↓

Parameters Provided:

ring.id = 534169
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 = 534169 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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