UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(4-methoxyphenyl)methyl]-4-thioxo-5,6,7,8-tetrahydroquinazolin-2-one 1-[(4-methoxyphenyl)methyl]-4-th…

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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) 3.02 6.03 -57.99 0 4 -1 50 301.391 3 ↓

Analogs

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Popular Name: 2-(3-nitrophenyl)-1-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-thione 2-(3-nitrophenyl)-1-(2-piperazin…

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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 8.84 -97.04 2 7 1 83 400.528 5 ↓

Analogs

1795632
1795632
1795638
1795638
2841453
2841453
2847340
2847340
2874596
2874596

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Popular Name: 1-(2-hydroxy-1,1-dimethyl-ethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione 1-(2-hydroxy-1,1-dimethyl-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) 3.56 -3.06 -25.18 1 3 0 38 314.454 3 ↓

Analogs

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Popular Name: acetic-acid-2-(2-phenyl-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl)ethyl-ester acetic-acid-2-(2-phenyl-4-thioxo…

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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) 3.45 0 -29.01 0 4 0 44 328.437 5 ↓

Analogs

1795632
1795632
1795638
1795638
2841453
2841453
2847340
2847340
2874596
2874596

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Popular Name: 1-[(1S)-2-hydroxy-1-methyl-ethyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione 1-[(1S)-2-hydroxy-1-methyl-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) 3.11 -3.41 -30.23 1 3 0 38 300.427 3 ↓

Analogs

1795632
1795632
1795638
1795638
2841453
2841453
2847340
2847340
2874596
2874596

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-2-hydroxy-1-methyl-ethyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione 1-[(1R)-2-hydroxy-1-methyl-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) 3.11 -3.46 -30.38 1 3 0 38 300.427 3 ↓

Analogs

25493376
25493376

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Popular Name: 2-(4-bromophenyl)-1-isobutyl-5,6,7,8-tetrahydroquinazoline-4-thione 2-(4-bromophenyl)-1-isobutyl-5,6…

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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) 5.31 -0.76 -26.04 0 2 0 17 377.351 3 ↓

Analogs

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Popular Name: 1-(3-dimethylaminopropyl)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-4-thione 1-(3-dimethylaminopropyl)-2-(3-m…

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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) 3.71 -0.07 -79.72 1 4 1 31 358.531 6 ↓

Parameters Provided:

ring.id = 9805
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 = 9805 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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