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Analogs

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Popular Name: N-(4-pyrrolidin-1-ylphenyl)-4,5-dihydrothiazol-2-amine N-(4-pyrrolidin-1-ylphenyl)-4,5-…

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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) 2.60 6.71 -27.32 2 3 1 29 248.375 3 ↓
Hi High (pH 8-9.5) 2.60 6.68 -5.85 1 3 0 28 247.367 3 ↓

Analogs

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Popular Name: (4R)-4-ethyl-N-(4-pyrrolidin-1-ylphenyl)-4,5-dihydrothiazol-2-amine (4R)-4-ethyl-N-(4-pyrrolidin-1-y…

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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 8.24 -25.36 2 3 1 29 276.429 4 ↓
Hi High (pH 8-9.5) 3.46 7.4 -5.08 1 3 0 28 275.421 4 ↓

Analogs

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Popular Name: (4S)-4-ethyl-N-(4-pyrrolidin-1-ylphenyl)-4,5-dihydrothiazol-2-amine (4S)-4-ethyl-N-(4-pyrrolidin-1-y…

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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 8.24 -25.33 2 3 1 29 276.429 4 ↓
Hi High (pH 8-9.5) 3.46 7.41 -5.14 1 3 0 28 275.421 4 ↓

Analogs

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Popular Name: 4,4-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-5H-thiazol-2-amine 4,4-dimethyl-N-(4-pyrrolidin-1-y…

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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 8.08 -24.42 2 3 1 29 276.429 3 ↓
Hi High (pH 8-9.5) 3.41 7.22 -5.39 1 3 0 28 275.421 3 ↓

Analogs

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Popular Name: (5R)-5-methyl-N-(4-pyrrolidin-1-ylphenyl)-4,5-dihydrothiazol-2-amine (5R)-5-methyl-N-(4-pyrrolidin-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) 2.96 7.44 -26.45 2 3 1 29 262.402 3 ↓
Hi High (pH 8-9.5) 2.96 7.39 -5.85 1 3 0 28 261.394 3 ↓

Analogs

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Popular Name: (5S)-5-methyl-N-(4-pyrrolidin-1-ylphenyl)-4,5-dihydrothiazol-2-amine (5S)-5-methyl-N-(4-pyrrolidin-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) 2.96 7.43 -26.67 2 3 1 29 262.402 3 ↓
Hi High (pH 8-9.5) 2.96 7.39 -5.82 1 3 0 28 261.394 3 ↓

Analogs

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Popular Name: (4R)-4-methyl-N-(4-pyrrolidin-1-ylphenyl)-4,5-dihydrothiazol-2-amine (4R)-4-methyl-N-(4-pyrrolidin-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) 2.93 7.46 -26.08 2 3 1 29 262.402 3 ↓
Hi High (pH 8-9.5) 2.93 6.5 -5.42 1 3 0 28 261.394 3 ↓

Analogs

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Popular Name: (4S)-4-methyl-N-(4-pyrrolidin-1-ylphenyl)-4,5-dihydrothiazol-2-amine (4S)-4-methyl-N-(4-pyrrolidin-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) 2.93 7.45 -25.61 2 3 1 29 262.402 3 ↓
Hi High (pH 8-9.5) 2.93 6.51 -5.45 1 3 0 28 261.394 3 ↓

Analogs

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Popular Name: 4,4-diethyl-N-(4-pyrrolidin-1-ylphenyl)-5H-thiazol-2-amine 4,4-diethyl-N-(4-pyrrolidin-1-yl…

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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) 4.41 9.31 -24.42 2 3 1 29 304.483 5 ↓
Hi High (pH 8-9.5) 4.41 8.45 -4.9 1 3 0 28 303.475 5 ↓

Analogs

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Popular Name: (4R)-4-isobutyl-N-(4-pyrrolidin-1-ylphenyl)-4,5-dihydrothiazol-2-amine (4R)-4-isobutyl-N-(4-pyrrolidin-…

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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) 4.24 9.52 -25.98 2 3 1 29 304.483 5 ↓
Hi High (pH 8-9.5) 4.24 8.77 -4.85 1 3 0 28 303.475 5 ↓

Analogs

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Popular Name: (4S)-4-isobutyl-N-(4-pyrrolidin-1-ylphenyl)-4,5-dihydrothiazol-2-amine (4S)-4-isobutyl-N-(4-pyrrolidin-…

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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) 4.24 9.53 -25.8 2 3 1 29 304.483 5 ↓
Hi High (pH 8-9.5) 4.24 8.7 -4.83 1 3 0 28 303.475 5 ↓

Parameters Provided:

ring.id = 330079
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 = 330079 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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