UCSF
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Analogs

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Popular Name: 5,5-diethyl-2-[(4-oxo-3H-quinazolin-2-yl)sulfanylmethyl]-3,6-dihydrobenzo[h]quinazolin-4-one 5,5-diethyl-2-[(4-oxo-3H-quinazo…

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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) 5.29 10.66 -14.43 2 6 0 92 444.56 5 ↓
Hi High (pH 8-9.5) 5.75 9.6 -45.48 1 6 -1 95 443.552 5 ↓

Analogs

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Popular Name: 5,5-diethyl-2-[(3-methyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-3,6-dihydrobenzo[h]quinazolin-4-one 5,5-diethyl-2-[(3-methyl-4-oxo-q…

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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) 4.80 12.59 -15.88 1 6 0 81 458.587 5 ↓
Hi High (pH 8-9.5) 5.26 11.51 -46.47 0 6 -1 84 457.579 5 ↓

Analogs

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Popular Name: 5,5-diethyl-2-[(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-3,6-dihydrobenzo[h]quinazolin-4-one 5,5-diethyl-2-[(3-ethyl-4-oxo-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) 5.18 13.44 -15.79 1 6 0 81 472.614 6 ↓
Hi High (pH 8-9.5) 5.63 12.37 -46.59 0 6 -1 84 471.606 6 ↓

Analogs

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Popular Name: 2-[(3-allyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one 2-[(3-allyl-4-oxo-quinazolin-2-y…

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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) 5.45 14.02 -15.31 1 6 0 81 484.625 7 ↓
Hi High (pH 8-9.5) 5.90 12.95 -46.53 0 6 -1 84 483.617 7 ↓

Parameters Provided:

ring.id = 81950
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 = 81950 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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