UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(3-hydroxypropylsulfanyl)-3-[[(2S)-tetrahydrofuran-2-yl]methyl]quinazolin-4-one 2-(3-hydroxypropylsulfanyl)-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) 1.98 5.37 -11.23 1 5 0 64 320.414 6 ↓

Analogs

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Popular Name: 2-(3-hydroxypropylsulfanyl)-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazolin-4-one 2-(3-hydroxypropylsulfanyl)-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) 1.98 5.56 -13.48 1 5 0 64 320.414 6 ↓

Analogs

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Popular Name: 2-butylsulfanyl-3-[[(2S)-tetrahydrofuran-2-yl]methyl]quinazolin-4-one 2-butylsulfanyl-3-[[(2S)-tetrahy…

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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) 3.78 9.71 -11.48 0 4 0 44 318.442 6 ↓

Analogs

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Popular Name: 2-butylsulfanyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazolin-4-one 2-butylsulfanyl-3-[[(2R)-tetrahy…

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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) 3.78 9.47 -9.3 0 4 0 44 318.442 6 ↓

Analogs

4167871
4167871

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Popular Name: 2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanylacetonitrile 2-[4-oxo-3-(tetrahydrofuran-2-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) 2.13 0.47 -14.01 0 5 0 67 301.371 4 ↓

Analogs

4167870
4167870

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Popular Name: 2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanylacetonitrile 2-[4-oxo-3-(tetrahydrofuran-2-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) 2.13 0.63 -11.27 0 5 0 67 301.371 4 ↓

Analogs

4167875
4167875

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Popular Name: 2-allylsulfanyl-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4-one 2-allylsulfanyl-3-(tetrahydrofur…

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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) 2.99 -0.15 -11.38 0 4 0 44 302.399 5 ↓

Analogs

4167873
4167873

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Popular Name: 2-allylsulfanyl-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4-one 2-allylsulfanyl-3-(tetrahydrofur…

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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) 2.99 -0.12 -11.52 0 4 0 44 302.399 5 ↓

Analogs

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Popular Name: 2-(2-hydroxyethylamino)-3-[[(2S)-tetrahydrofuran-2-yl]methyl]quinazolin-4-one 2-(2-hydroxyethylamino)-3-[[(2S)…

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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) 0.97 4.93 -12.63 2 6 0 76 289.335 5 ↓

Analogs

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Popular Name: 2-(2-hydroxyethylamino)-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazolin-4-one 2-(2-hydroxyethylamino)-3-[[(2R)…

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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) 0.97 5.01 -15.12 2 6 0 76 289.335 5 ↓

Analogs

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Popular Name: 5-[4-oxo-3-[[(2S)-tetrahydrofuran-2-yl]methyl]quinazolin-2-yl]sulfanylpentanamide 5-[4-oxo-3-[[(2S)-tetrahydrofura…

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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) 2.12 6.34 -17.38 2 6 0 87 361.467 8 ↓

Analogs

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Popular Name: 2-(chloromethyl)-3-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]quinazolin-4-one 2-(chloromethyl)-3-[(1S)-1-[(2S)…

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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) 2.47 8.92 -12.01 0 4 0 44 292.766 3 ↓

Analogs

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Popular Name: 2-(chloromethyl)-3-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]quinazolin-4-one 2-(chloromethyl)-3-[(1R)-1-[(2S)…

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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) 2.47 9.12 -13.03 0 4 0 44 292.766 3 ↓

Analogs

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Popular Name: 2-(chloromethyl)-3-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]quinazolin-4-one 2-(chloromethyl)-3-[(1S)-1-[(2R)…

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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) 2.47 9.21 -13.23 0 4 0 44 292.766 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(chloromethyl)-3-[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]quinazolin-4-one 2-(chloromethyl)-3-[(1R)-1-[(2R)…

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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) 2.47 9.56 -12.59 0 4 0 44 292.766 3 ↓

Parameters Provided:

ring.id = 45634
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 = 45634 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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