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Analogs

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Popular Name: (5R)-5-(bromomethyl)-N-[(1S)-1-cyclopropylethyl]-N-methyl-4,5-dihydrothiazol-2-amine (5R)-5-(bromomethyl)-N-[(1S)-1-c…

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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) 2.56 7.58 -28.19 1 2 1 17 278.239 4 ↓

Analogs

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Popular Name: (5R)-5-(bromomethyl)-N-[(1R)-1-cyclopropylethyl]-N-methyl-4,5-dihydrothiazol-2-amine (5R)-5-(bromomethyl)-N-[(1R)-1-c…

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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) 2.56 7.6 -28.25 1 2 1 17 278.239 4 ↓

Analogs

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Popular Name: (5S)-5-(bromomethyl)-N-[(1S)-1-cyclopropylethyl]-N-methyl-4,5-dihydrothiazol-2-amine (5S)-5-(bromomethyl)-N-[(1S)-1-c…

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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) 2.56 7.58 -28.24 1 2 1 17 278.239 4 ↓

Analogs

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Popular Name: (5S)-5-(bromomethyl)-N-[(1R)-1-cyclopropylethyl]-N-methyl-4,5-dihydrothiazol-2-amine (5S)-5-(bromomethyl)-N-[(1R)-1-c…

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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) 2.56 7.64 -28.37 1 2 1 17 278.239 4 ↓

Analogs

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Popular Name: (5R)-5-(bromomethyl)-N-methyl-N-[[(1S,2R)-2-methylcyclopropyl]methyl]-4,5-dihydrothiazol-2-amine (5R)-5-(bromomethyl)-N-methyl-N-…

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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) 2.84 7.9 -28.79 1 2 1 17 278.239 4 ↓

Analogs

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Popular Name: (5R)-5-(bromomethyl)-N-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]-4,5-dihydrothiazol-2-amine (5R)-5-(bromomethyl)-N-methyl-N-…

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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) 2.84 7.97 -28.82 1 2 1 17 278.239 4 ↓

Analogs

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Popular Name: (5R)-5-(bromomethyl)-N-methyl-N-[[(1R,2R)-2-methylcyclopropyl]methyl]-4,5-dihydrothiazol-2-amine (5R)-5-(bromomethyl)-N-methyl-N-…

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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) 2.84 7.97 -28.97 1 2 1 17 278.239 4 ↓

Analogs

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Popular Name: (5R)-5-(bromomethyl)-N-methyl-N-[[(1R,2S)-2-methylcyclopropyl]methyl]-4,5-dihydrothiazol-2-amine (5R)-5-(bromomethyl)-N-methyl-N-…

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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) 2.84 7.9 -28.89 1 2 1 17 278.239 4 ↓

Analogs

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Popular Name: (5R)-5-(bromomethyl)-N-(cyclopropylmethyl)-N-ethyl-4,5-dihydrothiazol-2-amine (5R)-5-(bromomethyl)-N-(cyclopro…

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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) 2.61 8.25 -28.26 1 2 1 17 278.239 5 ↓

Analogs

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Popular Name: (5S)-5-(bromomethyl)-N-(cyclopropylmethyl)-N-ethyl-4,5-dihydrothiazol-2-amine (5S)-5-(bromomethyl)-N-(cyclopro…

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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) 2.61 8.25 -28.29 1 2 1 17 278.239 5 ↓

Analogs

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Popular Name: (5R)-5-(bromomethyl)-N-(cyclopropylmethyl)-N-methyl-4,5-dihydrothiazol-2-amine (5R)-5-(bromomethyl)-N-(cyclopro…

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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) 2.23 7.3 -28.75 1 2 1 17 264.212 4 ↓

Analogs

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Popular Name: (5S)-5-(bromomethyl)-N-(cyclopropylmethyl)-N-methyl-4,5-dihydrothiazol-2-amine (5S)-5-(bromomethyl)-N-(cyclopro…

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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) 2.23 7.29 -28.86 1 2 1 17 264.212 4 ↓

Analogs

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Popular Name: (5R)-5-(bromomethyl)-N-(cyclopropylmethyl)-N-propyl-4,5-dihydrothiazol-2-amine (5R)-5-(bromomethyl)-N-(cyclopro…

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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) 3.11 9.01 -28.3 1 2 1 17 292.266 6 ↓

Analogs

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Popular Name: (5S)-5-(bromomethyl)-N-(cyclopropylmethyl)-N-propyl-4,5-dihydrothiazol-2-amine (5S)-5-(bromomethyl)-N-(cyclopro…

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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) 3.11 9.01 -28.33 1 2 1 17 292.266 6 ↓

Analogs

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Popular Name: (5R)-5-(bromomethyl)-N-(cyclopropylmethyl)-N-isopropyl-4,5-dihydrothiazol-2-amine (5R)-5-(bromomethyl)-N-(cyclopro…

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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) 2.91 8.54 -27.77 1 2 1 17 292.266 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(bromomethyl)-N-(cyclopropylmethyl)-N-isopropyl-4,5-dihydrothiazol-2-amine (5S)-5-(bromomethyl)-N-(cyclopro…

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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) 2.91 8.5 -27.82 1 2 1 17 292.266 5 ↓

Parameters Provided:

ring.id = 444258
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 = 444258 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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