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Analogs

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Popular Name: 9-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one 9-[4-(2,3-dimethylphenyl)piperaz…

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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) 3.44 12.01 -12.43 0 6 0 58 434.565 2 ↓
Mid Mid (pH 6-8) 3.44 11.78 -47.18 1 6 1 60 435.573 2 ↓

Analogs

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Popular Name: 9-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one 9-[4-(2,5-dimethylphenyl)piperaz…

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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) 3.46 12.13 -12.33 0 6 0 58 434.565 2 ↓
Mid Mid (pH 6-8) 3.46 11.93 -47.08 1 6 1 60 435.573 2 ↓

Analogs

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Popular Name: 9-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one 9-[4-(2-methoxyphenyl)piperazine…

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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 9.79 -14.26 0 7 0 68 436.537 3 ↓

Analogs

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Popular Name: 9-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one 9-[4-(3-methoxyphenyl)piperazine…

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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 9.24 -14.33 0 7 0 68 436.537 3 ↓

Analogs

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Popular Name: 9-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one 9-[4-(3-chlorophenyl)piperazine-…

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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) 3.29 10.45 -13.13 0 6 0 58 440.956 2 ↓

Analogs

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Popular Name: 9-[4-(4-chlorophenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one 9-[4-(4-chlorophenyl)piperazine-…

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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 10.46 -13.5 0 6 0 58 440.956 2 ↓

Parameters Provided:

ring.id = 563141
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 = 563141 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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