UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-(1H-indol-3-yl)-3-(1-methylethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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) 2.97 8.69 -10.46 2 4 0 48 305.381 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-(1H-indol-3-yl)-3-(1-methylethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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) 2.97 8.69 -10.4 2 4 0 48 305.381 2 ↓

Analogs

7088008
7088008
7088010
7088010

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Popular Name: 4(1H)-quinazolinone, 3-ethyl-2,3-dihydro-2-(1H-indol-3-yl)- 4(1H)-quinazolinone, 3-ethyl-2,3…

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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) 2.67 8.26 -11.44 2 4 0 48 291.354 2 ↓

Analogs

7088008
7088008
7088010
7088010

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 3-ethyl-2,3-dihydro-2-(1H-indol-3-yl)- 4(1H)-quinazolinone, 3-ethyl-2,3…

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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) 2.67 8.3 -11.41 2 4 0 48 291.354 2 ↓

Analogs

7088008
7088008
7088010
7088010

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-(1H-indol-3-yl)-3-methyl- 4(1H)-quinazolinone, 2,3-dihydro…

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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) 2.29 7.28 -11.46 2 4 0 48 277.327 1 ↓

Analogs

7088008
7088008
7088010
7088010

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-(1H-indol-3-yl)-3-methyl- 4(1H)-quinazolinone, 2,3-dihydro…

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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) 2.29 7.3 -11.4 2 4 0 48 277.327 1 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-(1H-indol-3-yl)-3-(3-methoxypropyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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) 2.55 8.09 -12.9 2 5 0 57 335.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-(1H-indol-3-yl)-3-(3-methoxypropyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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) 2.55 8.12 -12.88 2 5 0 57 335.407 5 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 3-butyl-2,3-dihydro-2-(1H-indol-3-yl)- 4(1H)-quinazolinone, 3-butyl-2,3…

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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) 3.73 9.8 -11.22 2 4 0 48 319.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 3-butyl-2,3-dihydro-2-(1H-indol-3-yl)- 4(1H)-quinazolinone, 3-butyl-2,3…

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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) 3.73 9.83 -11.25 2 4 0 48 319.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-(1H-indol-3-yl)-3-(2-methoxyethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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) 2.28 7.42 -10.5 2 5 0 57 321.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-(1H-indol-3-yl)-3-(2-methoxyethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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) 2.28 7.38 -13.86 2 5 0 57 321.38 4 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-(1H-indol-3-yl)-3-(2-propenyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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) 2.94 8.82 -11.32 2 4 0 48 303.365 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-(1H-indol-3-yl)-3-(2-propenyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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) 2.94 8.39 -9.84 2 4 0 48 303.365 3 ↓

Parameters Provided:

ring.id = 469751
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 = 469751 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=469751&filter.purchasability=annotated

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