UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-cyclohexyl-3-(2-furylmethyl)-7,7-dimethyl-2,4,6,8-tetrahydroquinazolin-5-one 1-cyclohexyl-3-(2-furylmethyl)-7…

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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) 4.08 9.27 -14.16 0 4 0 37 342.483 3 ↓

Analogs

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Popular Name: 1-(2-methoxyethyl)-7,7-dimethyl-3-phenethyl-2,4,6,8-tetrahydroquinazolin-5-one 1-(2-methoxyethyl)-7,7-dimethyl-…

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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) 3.31 9.02 -13.03 0 4 0 33 342.483 6 ↓

Analogs

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Popular Name: 3-benzyl-1-cyclohexyl-4,6,7,8-tetrahydro-2H-quinazolin-5-one 3-benzyl-1-cyclohexyl-4,6,7,8-te…

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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) 4.17 10.27 -11.98 0 3 0 24 324.468 3 ↓

Analogs

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Popular Name: 3-benzyl-1-cyclohexyl-7,7-dimethyl-2,4,6,8-tetrahydroquinazolin-5-one 3-benzyl-1-cyclohexyl-7,7-dimeth…

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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 11.14 -11.29 0 3 0 24 352.522 3 ↓

Analogs

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Popular Name: 1-cyclohexyl-3-[(4-methoxyphenyl)methyl]-7,7-dimethyl-2,4,6,8-tetrahydroquinazolin-5-one 1-cyclohexyl-3-[(4-methoxyphenyl…

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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) 4.88 10.44 -13.04 0 4 0 33 382.548 4 ↓

Analogs

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Popular Name: 2-[4-[1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2,4,6,8-tetrahydroquinazolin-3-yl]phenoxy]-N-[(E)-p-toly 2-[4-[1-(4-chlorophenyl)-7,7-dim…

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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) 7.17 16.72 -25.28 1 7 0 74 557.094 7 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)-7,7-dimethyl-3-(p-tolyl)-2,4,6,8-tetrahydroquinazolin-5-one 1-(4-chlorophenyl)-7,7-dimethyl-…

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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) 6.04 13.68 -9.2 0 3 0 24 380.919 2 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)-7,7-dimethyl-3-phenyl-2,4,6,8-tetrahydroquinazolin-5-one 1-(4-chlorophenyl)-7,7-dimethyl-…

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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) 5.59 13 -8.88 0 3 0 24 366.892 2 ↓

Analogs

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Popular Name: N-[(E)-(3-bromophenyl)methyleneamino]-2-[4-[1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2,4,6,8-tetrahydro N-[(E)-(3-bromophenyl)methylenea…

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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) 7.51 16.68 -20.14 1 7 0 74 621.963 7 ↓

Analogs

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Popular Name: N-[(E)-benzylideneamino]-2-[4-[1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2,4,6,8-tetrahydroquinazolin-3- N-[(E)-benzylideneamino]-2-[4-[1…

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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) 6.72 16.05 -21.8 1 7 0 74 543.067 7 ↓

Analogs

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Popular Name: 3-(4-bromophenyl)-1-(4-chlorophenyl)-7,7-dimethyl-2,4,6,8-tetrahydroquinazolin-5-one 3-(4-bromophenyl)-1-(4-chlorophe…

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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) 6.40 13.63 -8.4 0 3 0 24 445.788 2 ↓

Analogs

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Popular Name: 2-[4-[1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2,4,6,8-tetrahydroquinazolin-3-yl]phenoxy]acetohydrazide 2-[4-[1-(4-chlorophenyl)-7,7-dim…

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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) 3.30 10.51 -18.21 3 7 0 88 454.958 5 ↓

Parameters Provided:

ring.id = 96095
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 = 96095 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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