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Analogs

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Popular Name: 6-oxo-3,4-dihydro-2H,6H-[1,3]thiazino[2,3-b]quinazoline-9-carboxylic acid 6-oxo-3,4-dihydro-2H,6H-[1,3]thi…

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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) 1.99 6.5 -52.32 0 5 -1 75 261.282 1 ↓

Analogs

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

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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) 1.45 6.94 -13.67 0 5 0 55 315.398 1 ↓

Analogs

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

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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) 3.62 12.11 -13.52 0 5 0 55 419.55 3 ↓

Analogs

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

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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) 2.44 9.96 -12.87 0 5 0 55 377.469 1 ↓

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 ↓

Analogs

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Popular Name: ethyl 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) 1.39 7.57 -15.51 0 8 0 85 402.476 3 ↓

Analogs

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Popular Name: N-benzyl-6-oxo-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazoline-9-carboxamide N-benzyl-6-oxo-3,4-dihydro-2H-[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) 2.67 8.1 -13.9 1 5 0 64 351.431 3 ↓

Analogs

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Popular Name: N-[(4-methoxyphenyl)methyl]-6-oxo-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazoline-9-carboxamide N-[(4-methoxyphenyl)methyl]-6-ox…

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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) 2.73 7.4 -15.16 1 6 0 73 381.457 4 ↓

Analogs

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Popular Name: 6-oxo-N-[(4-propoxyphenyl)methyl]-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazoline-9-carboxamide 6-oxo-N-[(4-propoxyphenyl)methyl…

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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) 3.61 9.12 -14.73 1 6 0 73 409.511 6 ↓

Analogs

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Popular Name: N-[(2,5-dimethoxyphenyl)methyl]-6-oxo-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazoline-9-carboxamide N-[(2,5-dimethoxyphenyl)methyl]-…

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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) 2.71 6.71 -16.28 1 7 0 82 411.483 5 ↓

Analogs

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-6-oxo-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazoline-9-carboxamide N-[(3,4-dimethoxyphenyl)methyl]-…

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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) 2.32 7.29 -17.4 1 7 0 82 411.483 5 ↓

Analogs

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Popular Name: N-[(4-methylsulfanylphenyl)methyl]-6-oxo-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazoline-9-carboxamid N-[(4-methylsulfanylphenyl)methy…

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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) 3.10 9.12 -14.78 1 5 0 64 397.525 4 ↓

Analogs

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Popular Name: N-[(2-fluorophenyl)methyl]-6-oxo-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazoline-9-carboxamide N-[(2-fluorophenyl)methyl]-6-oxo…

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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) 2.79 8.12 -15.28 1 5 0 64 369.421 3 ↓

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-6-oxo-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazoline-9-carboxamide N-[(2-chlorophenyl)methyl]-6-oxo…

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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 8.51 -14.53 1 5 0 64 385.876 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-6-oxo-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazoline-9-carboxa N-[(1S)-1-(3,4-dimethoxyphenyl)e…

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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) 2.88 8.14 -18.41 1 7 0 82 425.51 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-6-oxo-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazoline-9-carboxa N-[(1R)-1-(3,4-dimethoxyphenyl)e…

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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) 2.88 8.14 -18.38 1 7 0 82 425.51 5 ↓

Analogs

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Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazoline-9-carboxamide N-[2-(3,4-dimethoxyphenyl)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) 2.72 8.07 -20.85 1 7 0 82 425.51 6 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenyl)ethyl]-6-oxo-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazoline-9-carboxamide N-[2-(4-chlorophenyl)ethyl]-6-ox…

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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) 3.75 9.4 -17.03 1 5 0 64 399.903 4 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-6-oxo-3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazoline-9-carboxamide N-(cyclopropylmethyl)-6-oxo-3,4-…

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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) 2.14 6.64 -14.25 1 5 0 64 315.398 3 ↓

Parameters Provided:

ring.id = 503116
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 = 503116 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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