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Analogs

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Popular Name: N-[(1S)-1-(4-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine N-[(1S)-1-(4-fluorophenyl)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) 2.79 6.78 -29.93 2 2 1 26 239.339 3 ↓
Hi High (pH 8-9.5) 2.79 6.55 -28.97 2 2 1 26 239.339 2 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine N-[(1R)-1-(4-fluorophenyl)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) 2.79 6.78 -29.97 2 2 1 26 239.339 3 ↓
Hi High (pH 8-9.5) 2.79 6.54 -29.14 2 2 1 26 239.339 2 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-chlorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine N-[(1S)-1-(2-chlorophenyl)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) 3.25 7.2 -27.2 2 2 1 26 255.794 3 ↓
Hi High (pH 8-9.5) 3.25 6.96 -25.36 2 2 1 26 255.794 2 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-chlorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine N-[(1R)-1-(2-chlorophenyl)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) 3.25 7.16 -27.39 2 2 1 26 255.794 3 ↓
Hi High (pH 8-9.5) 3.25 6.93 -25.96 2 2 1 26 255.794 2 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-chlorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine N-[(1S)-1-(3-chlorophenyl)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) 3.28 7.22 -28.72 2 2 1 26 255.794 3 ↓
Hi High (pH 8-9.5) 3.28 6.99 -27.47 2 2 1 26 255.794 2 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-chlorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine N-[(1R)-1-(3-chlorophenyl)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) 3.28 7.22 -28.8 2 2 1 26 255.794 3 ↓
Hi High (pH 8-9.5) 3.28 6.99 -27.89 2 2 1 26 255.794 2 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-chlorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine N-[(1S)-1-(4-chlorophenyl)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) 3.30 7.23 -29.08 2 2 1 26 255.794 3 ↓
Hi High (pH 8-9.5) 3.30 7 -28.13 2 2 1 26 255.794 2 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-chlorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine N-[(1R)-1-(4-chlorophenyl)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) 3.30 7.23 -29.09 2 2 1 26 255.794 3 ↓
Hi High (pH 8-9.5) 3.30 7 -28.29 2 2 1 26 255.794 2 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-bromophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine N-[(1S)-1-(4-bromophenyl)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) 3.43 7.34 -29.12 2 2 1 26 300.245 3 ↓
Hi High (pH 8-9.5) 3.43 7.11 -28.22 2 2 1 26 300.245 2 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-bromophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine N-[(1R)-1-(4-bromophenyl)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) 3.43 7.34 -29.17 2 2 1 26 300.245 3 ↓
Hi High (pH 8-9.5) 3.43 7.1 -28.4 2 2 1 26 300.245 2 ↓

Analogs

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Popular Name: N-[(1R)-1-(o-tolyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine N-[(1R)-1-(o-tolyl)ethyl]-5,6-di…

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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 7.21 -26.82 2 2 1 26 235.376 3 ↓
Hi High (pH 8-9.5) 3.02 6.98 -25.62 2 2 1 26 235.376 2 ↓

Analogs

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Popular Name: N-[(1S)-1-(o-tolyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine N-[(1S)-1-(o-tolyl)ethyl]-5,6-di…

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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 7.34 -26.81 2 2 1 26 235.376 3 ↓
Hi High (pH 8-9.5) 3.02 7.09 -25.34 2 2 1 26 235.376 2 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine N-[(1S)-1-(2-fluorophenyl)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) 2.74 6.83 -27.7 2 2 1 26 239.339 3 ↓
Hi High (pH 8-9.5) 2.74 6.57 -25.91 2 2 1 26 239.339 2 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine N-[(1R)-1-(2-fluorophenyl)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) 2.74 6.79 -27.91 2 2 1 26 239.339 3 ↓
Hi High (pH 8-9.5) 2.74 6.56 -26.5 2 2 1 26 239.339 2 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine N-[(1S)-1-(3-fluorophenyl)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) 2.76 6.78 -29.48 2 2 1 26 239.339 3 ↓
Hi High (pH 8-9.5) 2.76 6.55 -28.22 2 2 1 26 239.339 2 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine N-[(1R)-1-(3-fluorophenyl)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) 2.76 6.78 -29.62 2 2 1 26 239.339 3 ↓
Hi High (pH 8-9.5) 2.76 6.54 -28.68 2 2 1 26 239.339 2 ↓

Analogs

8729590
8729590
15417719
15417719

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Popular Name: N-[(1R)-1-(p-tolyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine N-[(1R)-1-(p-tolyl)ethyl]-5,6-di…

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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) 3.07 7.39 -26.51 2 2 1 26 235.376 3 ↓

Analogs

8729590
8729590
15417719
15417719

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(p-tolyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine N-[(1S)-1-(p-tolyl)ethyl]-5,6-di…

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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) 3.07 7.39 -26.45 2 2 1 26 235.376 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-bromophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine N-[(1S)-1-(3-bromophenyl)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) 3.41 7.33 -28.75 2 2 1 26 300.245 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-bromophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine N-[(1R)-1-(3-bromophenyl)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) 3.41 7.33 -28.88 2 2 1 26 300.245 3 ↓

Analogs

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Popular Name: N-[(3,4-difluorophenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine N-[(3,4-difluorophenyl)methyl]-5…

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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 6.13 -33.53 2 2 1 26 243.302 3 ↓
Hi High (pH 8-9.5) 2.32 6.17 -35.09 2 2 1 26 243.302 2 ↓

Analogs

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Popular Name: N-[(3-bromophenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine N-[(3-bromophenyl)methyl]-5,6-di…

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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) 2.85 6.62 -28.36 2 2 1 26 286.218 3 ↓
Hi High (pH 8-9.5) 2.85 6.66 -29.27 2 2 1 26 286.218 2 ↓

Analogs

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Popular Name: N-[(2-bromophenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine N-[(2-bromophenyl)methyl]-5,6-di…

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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) 2.83 6.5 -25.55 2 2 1 26 286.218 3 ↓
Hi High (pH 8-9.5) 2.83 6.54 -25.91 2 2 1 26 286.218 2 ↓

Parameters Provided:

ring.id = 572374
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 = 572374 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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