UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(4-methyl-2-pyridyl)-2-(2,2,2-trifluoroethylsulfanyl)quinazolin-4-one 3-(4-methyl-2-pyridyl)-2-(2,2,2-…

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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) 4.09 9.53 -13.43 0 4 0 48 351.353 4 ↓
Lo Low (pH 4.5-6) 4.09 9.82 -34.06 1 4 1 49 352.361 4 ↓

Analogs

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Popular Name: 3-[3-(3-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanylpropanamide 3-[3-(3-methyl-2-pyridyl)-4-oxo-…

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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) 2.17 6.25 -20.67 2 6 0 91 340.408 5 ↓
Lo Low (pH 4.5-6) 2.17 6.55 -43.16 3 6 1 92 341.416 5 ↓

Analogs

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Popular Name: 3-(5-methyl-2-pyridyl)-2-(2,2,2-trifluoroethylsulfanyl)quinazolin-4-one 3-(5-methyl-2-pyridyl)-2-(2,2,2-…

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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) 4.15 9.5 -13.22 0 4 0 48 351.353 4 ↓
Lo Low (pH 4.5-6) 4.15 9.8 -33.27 1 4 1 49 352.361 4 ↓

Analogs

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Popular Name: 3-(3-methyl-2-pyridyl)-2-methylsulfanyl-quinazolin-4-one 3-(3-methyl-2-pyridyl)-2-methyls…

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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) 3.17 8.49 -14.72 0 4 0 48 283.356 2 ↓
Lo Low (pH 4.5-6) 3.17 8.93 -34.9 1 4 1 49 284.364 2 ↓

Analogs

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Popular Name: 2-(3-hydroxypropylsulfanyl)-3-(4-methyl-2-pyridyl)quinazolin-4-one 2-(3-hydroxypropylsulfanyl)-3-(4…

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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) 2.81 6.51 -15.83 1 5 0 68 327.409 5 ↓
Lo Low (pH 4.5-6) -0.93 7.52 -32.02 2 5 1 72 328.417 4 ↓

Analogs

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Popular Name: 3-(4-methyl-2-pyridyl)-2-(2-oxobutylsulfanyl)quinazolin-4-one 3-(4-methyl-2-pyridyl)-2-(2-oxob…

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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) 3.22 9.79 -18.1 0 5 0 65 339.42 5 ↓
Lo Low (pH 4.5-6) -0.52 10.81 -30.98 1 5 1 69 340.428 4 ↓

Analogs

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Popular Name: 2-(3-hydroxypropylsulfanyl)-3-(5-methyl-2-pyridyl)quinazolin-4-one 2-(3-hydroxypropylsulfanyl)-3-(5…

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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) 2.86 6.49 -15.57 1 5 0 68 327.409 5 ↓
Lo Low (pH 4.5-6) -0.88 7.51 -30.56 2 5 1 72 328.417 4 ↓

Analogs

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

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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) 2.95 7.47 -20.99 2 6 0 91 368.462 7 ↓
Lo Low (pH 4.5-6) -0.79 8.49 -39.76 3 6 1 95 369.47 6 ↓

Analogs

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Popular Name: N-allyl-2-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide N-allyl-2-[3-(4-methyl-2-pyridyl…

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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) 2.92 8 -18.37 1 6 0 77 366.446 6 ↓

Analogs

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Popular Name: N-[3-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanylpropyl]acetamide N-[3-[3-(4-methyl-2-pyridyl)-4-o…

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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) 2.59 8.2 -20.71 1 6 0 77 368.462 6 ↓
Lo Low (pH 4.5-6) -1.15 9.22 -40.78 2 6 1 81 369.47 5 ↓

Analogs

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Popular Name: N-[3-[3-(5-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanylpropyl]acetamide N-[3-[3-(5-methyl-2-pyridyl)-4-o…

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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) 2.64 8.17 -20.55 1 6 0 77 368.462 6 ↓
Lo Low (pH 4.5-6) -1.10 9.21 -39.08 2 6 1 81 369.47 5 ↓

Parameters Provided:

ring.id = 66437
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 = 66437 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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