UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide N-[(1R)-1-(2-methoxyphenyl)ethyl…

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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) 2.38 8.55 -17.78 2 6 0 76 383.473 6 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide N-[(1S)-1-(2-methoxyphenyl)ethyl…

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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) 2.38 8.57 -17.88 2 6 0 76 383.473 6 ↓

Analogs

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Popular Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide N-methyl-N-[(4-methylsulfanylphe…

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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) 2.49 11.46 -18.33 1 5 0 58 399.541 6 ↓

Analogs

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Popular Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide N-[(2,4-dimethylphenyl)methyl]-N…

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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) 2.88 12.34 -18.07 1 5 0 58 381.501 5 ↓
Mid Mid (pH 6-8) 3.61 11.92 -44.73 0 5 -1 55 380.493 5 ↓

Analogs

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Popular Name: N-[(2-hydroxyphenyl)methyl]-N-methyl-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide N-[(2-hydroxyphenyl)methyl]-N-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) 2.00 9.05 -17.55 2 6 0 78 369.446 5 ↓
Hi High (pH 8-9.5) 2.73 9.75 -113.72 0 6 -2 78 367.43 5 ↓
Mid Mid (pH 6-8) 2.73 8.74 -47.43 1 6 -1 75 368.438 5 ↓

Parameters Provided:

ring.id = 40445
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 = 40445 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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