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Analogs

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Popular Name: N-[(1S)-1-methyl-2-morpholino-ethyl]-4,5-dihydrothiazol-2-amine N-[(1S)-1-methyl-2-morpholino-et…

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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) 0.60 1.91 -27.88 2 4 1 38 230.357 4 ↓
Mid Mid (pH 6-8) 0.60 4.26 -94.43 3 4 2 40 231.365 3 ↓
Mid Mid (pH 6-8) 0.60 1.04 -6.63 1 4 0 37 229.349 3 ↓

Analogs

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Popular Name: N-[(1R)-1-methyl-2-morpholino-ethyl]-4,5-dihydrothiazol-2-amine N-[(1R)-1-methyl-2-morpholino-et…

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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) 0.60 1.87 -27.87 2 4 1 38 230.357 4 ↓
Mid Mid (pH 6-8) 0.60 1.1 -6.88 1 4 0 37 229.349 3 ↓
Mid Mid (pH 6-8) 0.60 4.19 -94.69 3 4 2 40 231.365 3 ↓

Analogs

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Popular Name: (4R)-4-ethyl-N-[(1S)-1-methyl-2-morpholino-ethyl]-4,5-dihydrothiazol-2-amine (4R)-4-ethyl-N-[(1S)-1-methyl-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) 1.47 3.43 -26.38 2 4 1 38 258.411 5 ↓
Mid Mid (pH 6-8) 1.47 5.74 -91.96 3 4 2 40 259.419 5 ↓

Analogs

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Popular Name: (4S)-4-ethyl-N-[(1S)-1-methyl-2-morpholino-ethyl]-4,5-dihydrothiazol-2-amine (4S)-4-ethyl-N-[(1S)-1-methyl-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) 1.47 3.44 -26.39 2 4 1 38 258.411 5 ↓
Mid Mid (pH 6-8) 1.47 5.74 -91.79 3 4 2 40 259.419 5 ↓

Analogs

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Popular Name: (4R)-4-ethyl-N-[(1R)-1-methyl-2-morpholino-ethyl]-4,5-dihydrothiazol-2-amine (4R)-4-ethyl-N-[(1R)-1-methyl-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) 1.47 3.4 -26.47 2 4 1 38 258.411 5 ↓
Mid Mid (pH 6-8) 1.47 5.74 -91.9 3 4 2 40 259.419 5 ↓

Analogs

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Popular Name: (4S)-4-ethyl-N-[(1R)-1-methyl-2-morpholino-ethyl]-4,5-dihydrothiazol-2-amine (4S)-4-ethyl-N-[(1R)-1-methyl-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) 1.47 3.4 -26.42 2 4 1 38 258.411 5 ↓
Mid Mid (pH 6-8) 1.47 5.74 -92.01 3 4 2 40 259.419 5 ↓

Analogs

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Popular Name: 4,4-dimethyl-N-[(1S)-1-methyl-2-morpholino-ethyl]-5H-thiazol-2-amine 4,4-dimethyl-N-[(1S)-1-methyl-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) 1.41 3.28 -25.63 2 4 1 38 258.411 4 ↓
Mid Mid (pH 6-8) 1.41 5.58 -90.62 3 4 2 40 259.419 4 ↓

Analogs

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Popular Name: 4,4-dimethyl-N-[(1R)-1-methyl-2-morpholino-ethyl]-5H-thiazol-2-amine 4,4-dimethyl-N-[(1R)-1-methyl-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) 1.41 3.24 -25.54 2 4 1 38 258.411 4 ↓
Mid Mid (pH 6-8) 1.41 5.58 -91.18 3 4 2 40 259.419 4 ↓

Analogs

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Popular Name: (5R)-5-methyl-N-[(1S)-1-methyl-2-morpholino-ethyl]-4,5-dihydrothiazol-2-amine (5R)-5-methyl-N-[(1S)-1-methyl-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) 0.96 2.63 -27.03 2 4 1 38 244.384 4 ↓
Mid Mid (pH 6-8) 0.96 2.62 -27.08 2 4 1 38 244.384 3 ↓
Mid Mid (pH 6-8) 0.96 4.94 -95.02 3 4 2 40 245.392 3 ↓

Analogs

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Popular Name: (5S)-5-methyl-N-[(1S)-1-methyl-2-morpholino-ethyl]-4,5-dihydrothiazol-2-amine (5S)-5-methyl-N-[(1S)-1-methyl-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) 0.96 2.61 -27.2 2 4 1 38 244.384 4 ↓
Mid Mid (pH 6-8) 0.96 2.62 -27.21 2 4 1 38 244.384 3 ↓
Mid Mid (pH 6-8) 0.96 4.94 -95.5 3 4 2 40 245.392 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-methyl-N-[(1R)-1-methyl-2-morpholino-ethyl]-4,5-dihydrothiazol-2-amine (5R)-5-methyl-N-[(1R)-1-methyl-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) 0.96 2.58 -27.07 2 4 1 38 244.384 4 ↓
Mid Mid (pH 6-8) 0.96 4.88 -95.12 3 4 2 40 245.392 3 ↓
Mid Mid (pH 6-8) 0.96 2.53 -27.31 2 4 1 38 244.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-methyl-N-[(1R)-1-methyl-2-morpholino-ethyl]-4,5-dihydrothiazol-2-amine (5S)-5-methyl-N-[(1R)-1-methyl-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) 0.96 2.57 -27.25 2 4 1 38 244.384 4 ↓
Mid Mid (pH 6-8) 0.96 2.53 -27.44 2 4 1 38 244.384 3 ↓
Mid Mid (pH 6-8) 0.96 4.88 -95.23 3 4 2 40 245.392 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-methyl-N-[(1S)-1-methyl-2-morpholino-ethyl]-4,5-dihydrothiazol-2-amine (4R)-4-methyl-N-[(1S)-1-methyl-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) 0.93 2.64 -26.88 2 4 1 38 244.384 4 ↓
Mid Mid (pH 6-8) 0.93 4.95 -91.42 3 4 2 40 245.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-methyl-N-[(1S)-1-methyl-2-morpholino-ethyl]-4,5-dihydrothiazol-2-amine (4S)-4-methyl-N-[(1S)-1-methyl-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) 0.93 2.62 -26.5 2 4 1 38 244.384 4 ↓
Mid Mid (pH 6-8) 0.93 4.93 -91.49 3 4 2 40 245.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-methyl-N-[(1R)-1-methyl-2-morpholino-ethyl]-4,5-dihydrothiazol-2-amine (4R)-4-methyl-N-[(1R)-1-methyl-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) 0.93 2.61 -26.9 2 4 1 38 244.384 4 ↓
Mid Mid (pH 6-8) 0.93 4.95 -92.22 3 4 2 40 245.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-methyl-N-[(1R)-1-methyl-2-morpholino-ethyl]-4,5-dihydrothiazol-2-amine (4S)-4-methyl-N-[(1R)-1-methyl-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) 0.93 2.59 -26.53 2 4 1 38 244.384 4 ↓
Mid Mid (pH 6-8) 0.93 4.93 -91.5 3 4 2 40 245.392 4 ↓

Analogs

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Popular Name: (4R)-4-isobutyl-N-[(1S)-1-methyl-2-morpholino-ethyl]-4,5-dihydrothiazol-2-amine (4R)-4-isobutyl-N-[(1S)-1-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) 2.24 4.72 -27.05 2 4 1 38 286.465 6 ↓
Mid Mid (pH 6-8) 2.24 7.01 -93.75 3 4 2 40 287.473 6 ↓

Analogs

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Popular Name: (4S)-4-isobutyl-N-[(1S)-1-methyl-2-morpholino-ethyl]-4,5-dihydrothiazol-2-amine (4S)-4-isobutyl-N-[(1S)-1-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) 2.24 4.72 -27.08 2 4 1 38 286.465 6 ↓
Mid Mid (pH 6-8) 2.24 7.03 -93.55 3 4 2 40 287.473 6 ↓

Analogs

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Popular Name: (4R)-4-isobutyl-N-[(1R)-1-methyl-2-morpholino-ethyl]-4,5-dihydrothiazol-2-amine (4R)-4-isobutyl-N-[(1R)-1-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) 2.24 4.68 -27.13 2 4 1 38 286.465 6 ↓
Mid Mid (pH 6-8) 2.24 7.02 -93.58 3 4 2 40 287.473 6 ↓

Analogs

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Popular Name: (4S)-4-isobutyl-N-[(1R)-1-methyl-2-morpholino-ethyl]-4,5-dihydrothiazol-2-amine (4S)-4-isobutyl-N-[(1R)-1-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) 2.24 4.68 -27.08 2 4 1 38 286.465 6 ↓
Mid Mid (pH 6-8) 2.24 7.02 -93.87 3 4 2 40 287.473 6 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 572343 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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