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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

35018185
35018185
44686091
44686091
44686093
44686093

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Popular Name: N-ethyl-N-[4-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]thiazol-2-yl]acetamide N-ethyl-N-[4-[[[(2R)-1-ethylpyrr…

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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) 1.43 7.14 -35.81 2 5 1 50 311.475 7 ↓
Hi High (pH 8-9.5) 1.43 4.82 -13.19 1 5 0 48 310.467 7 ↓
Mid Mid (pH 6-8) 1.43 6.54 -37.9 2 5 1 53 311.475 7 ↓

Analogs

44686091
44686091
44686093
44686093
35018184
35018184

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]thiazol-2-yl]acetamide N-ethyl-N-[4-[[[(2S)-1-ethylpyrr…

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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) 1.43 7.06 -33.85 2 5 1 50 311.475 7 ↓
Hi High (pH 8-9.5) 1.43 5.22 -14.1 1 5 0 48 310.467 7 ↓
Mid Mid (pH 6-8) 1.43 6.56 -40.59 2 5 1 53 311.475 7 ↓

Analogs

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Popular Name: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-ethylthiazol-4-yl)methanamine N-[[(2S)-1-ethylpyrrolidin-2-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) 1.75 5.8 -28.56 2 3 1 29 254.423 6 ↓
Hi High (pH 8-9.5) 1.75 3.56 -5.19 1 3 0 28 253.415 6 ↓
Mid Mid (pH 6-8) 1.75 7.06 -108.36 3 3 2 34 255.431 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-ethylthiazol-4-yl)methanamine N-[[(2R)-1-ethylpyrrolidin-2-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) 1.75 5.74 -31.68 2 3 1 29 254.423 6 ↓
Hi High (pH 8-9.5) 1.75 3.94 -4.2 1 3 0 28 253.415 6 ↓
Mid Mid (pH 6-8) 1.75 7.11 -109.2 3 3 2 34 255.431 6 ↓

Analogs

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Popular Name: N-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methyl]-1-(2-methylthiazol-4-yl)methanamine N-[[(2S,4S)-4-methoxypyrrolidin-…

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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) 0.26 1.3 -37.61 3 4 1 51 242.368 5 ↓
Hi High (pH 8-9.5) 0.26 -0.25 -7.31 2 4 0 46 241.36 5 ↓
Mid Mid (pH 6-8) 0.26 1.19 -35.69 3 4 1 51 242.368 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,4S)-4-methoxypyrrolidin-2-yl]methyl]-1-(2-methylthiazol-4-yl)methanamine N-[[(2R,4S)-4-methoxypyrrolidin-…

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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) 0.26 1.14 -39.31 3 4 1 51 242.368 5 ↓
Hi High (pH 8-9.5) 0.26 -0.21 -7.09 2 4 0 46 241.36 5 ↓
Mid Mid (pH 6-8) 0.26 1.14 -39.83 3 4 1 51 242.368 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,4R)-4-methoxypyrrolidin-2-yl]methyl]-1-(2-methylthiazol-4-yl)methanamine N-[[(2S,4R)-4-methoxypyrrolidin-…

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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) 0.26 1.25 -38.8 3 4 1 51 242.368 5 ↓
Hi High (pH 8-9.5) 0.26 -0.3 -6.13 2 4 0 46 241.36 5 ↓
Mid Mid (pH 6-8) 0.26 0.98 -35.46 3 4 1 51 242.368 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,4R)-4-methoxypyrrolidin-2-yl]methyl]-1-(2-methylthiazol-4-yl)methanamine N-[[(2R,4R)-4-methoxypyrrolidin-…

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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) 0.26 1.19 -39.11 3 4 1 51 242.368 5 ↓
Hi High (pH 8-9.5) 0.26 -0.17 -6 2 4 0 46 241.36 5 ↓
Mid Mid (pH 6-8) 0.26 1.17 -39.27 3 4 1 51 242.368 5 ↓

Parameters Provided:

ring.id = 15225
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 = 15225 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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