UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: 4(1H)-quinazolinone, 2-(9-anthracenyl)-2,3-dihydro- 4(1H)-quinazolinone, 2-(9-anthra…

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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) 4.67 10.03 -13.89 2 3 0 41 324.383 1 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(9-anthracenyl)-2,3-dihydro- 4(1H)-quinazolinone, 2-(9-anthra…

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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) 4.67 10.03 -13.88 2 3 0 41 324.383 1 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(9-anthracenyl)-2,3-dihydro-3-(1-methylethyl)- 4(1H)-quinazolinone, 2-(9-anthra…

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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) 5.11 12.37 -11.54 1 3 0 32 366.464 2 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(9-anthracenyl)-2,3-dihydro-3-(1-methylethyl)- 4(1H)-quinazolinone, 2-(9-anthra…

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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) 5.11 12.35 -11.53 1 3 0 32 366.464 2 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(9-anthracenyl)-2,3-dihydro-3-propyl- 4(1H)-quinazolinone, 2-(9-anthra…

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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) 5.32 13.12 -12.2 1 3 0 32 366.464 3 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(9-anthracenyl)-2,3-dihydro-3-propyl- 4(1H)-quinazolinone, 2-(9-anthra…

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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) 5.32 12.11 -11.7 1 3 0 32 366.464 3 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(9-anthracenyl)-3-ethyl-2,3-dihydro- 4(1H)-quinazolinone, 2-(9-anthra…

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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) 4.82 12.37 -12.34 1 3 0 32 352.437 2 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(9-anthracenyl)-3-ethyl-2,3-dihydro- 4(1H)-quinazolinone, 2-(9-anthra…

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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) 4.82 11.44 -11.91 1 3 0 32 352.437 2 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(9-anthracenyl)-2,3-dihydro-3-methyl- 4(1H)-quinazolinone, 2-(9-anthra…

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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) 4.44 11.41 -12.54 1 3 0 32 338.41 1 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(9-anthracenyl)-2,3-dihydro-3-methyl- 4(1H)-quinazolinone, 2-(9-anthra…

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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) 4.44 11.37 -12.57 1 3 0 32 338.41 1 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(9-anthracenyl)-2,3-dihydro-3-(3-methoxypropyl)- 4(1H)-quinazolinone, 2-(9-anthra…

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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) 4.69 12.2 -13.01 1 4 0 42 396.49 5 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(9-anthracenyl)-2,3-dihydro-3-(3-methoxypropyl)- 4(1H)-quinazolinone, 2-(9-anthra…

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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) 4.69 11.15 -13.52 1 4 0 42 396.49 5 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(9-anthracenyl)-3-butyl-2,3-dihydro- 4(1H)-quinazolinone, 2-(9-anthra…

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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) 5.88 13.91 -12.13 1 3 0 32 380.491 4 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(9-anthracenyl)-3-butyl-2,3-dihydro- 4(1H)-quinazolinone, 2-(9-anthra…

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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) 5.88 12.86 -11.68 1 3 0 32 380.491 4 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(9-anthracenyl)-2,3-dihydro-3-(2-methoxyethyl)- 4(1H)-quinazolinone, 2-(9-anthra…

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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) 4.42 11.54 -11.06 1 4 0 42 382.463 4 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(9-anthracenyl)-2,3-dihydro-3-(2-methoxyethyl)- 4(1H)-quinazolinone, 2-(9-anthra…

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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) 4.42 11.05 -10.19 1 4 0 42 382.463 4 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(9-anthracenyl)-2,3-dihydro-3-(1-methylpropyl)- 4(1H)-quinazolinone, 2-(9-anthra…

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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) 5.65 12.09 -11.06 1 3 0 32 380.491 3 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(9-anthracenyl)-2,3-dihydro-3-(1-methylpropyl)- 4(1H)-quinazolinone, 2-(9-anthra…

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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) 5.65 13.44 -11.3 1 3 0 32 380.491 3 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(9-anthracenyl)-2,3-dihydro-3-(1-methylpropyl)- 4(1H)-quinazolinone, 2-(9-anthra…

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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) 5.65 13.4 -11.22 1 3 0 32 380.491 3 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(9-anthracenyl)-2,3-dihydro-3-(1-methylpropyl)- 4(1H)-quinazolinone, 2-(9-anthra…

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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) 5.65 12.64 -10.61 1 3 0 32 380.491 3 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(9-anthracenyl)-2,3-dihydro-3-(2-propenyl)- 4(1H)-quinazolinone, 2-(9-anthra…

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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) 5.08 12.94 -11.87 1 3 0 32 364.448 3 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(9-anthracenyl)-2,3-dihydro-3-(2-propenyl)- 4(1H)-quinazolinone, 2-(9-anthra…

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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) 5.08 12.04 -11.8 1 3 0 32 364.448 3 ↓

Parameters Provided:

ring.id = 70820
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 = 70820 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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