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

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Popular Name: N-[[(2S)-pyrrolidin-2-yl]methyl]-1-thiazol-2-yl-methanamine N-[[(2S)-pyrrolidin-2-yl]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) 0.33 1.64 -34.98 3 3 1 42 198.315 4 ↓
Mid Mid (pH 6-8) 0.33 2.9 -117.88 4 3 2 46 199.323 4 ↓

Analogs

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Popular Name: N-[[(2R)-pyrrolidin-2-yl]methyl]-1-thiazol-2-yl-methanamine N-[[(2R)-pyrrolidin-2-yl]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) 0.33 1.61 -35.58 3 3 1 42 198.315 4 ↓
Mid Mid (pH 6-8) 0.33 2.97 -117.16 4 3 2 46 199.323 4 ↓

Analogs

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Popular Name: 1-[(2R,4R)-4-methoxypyrrolidin-2-yl]-N-(thiazol-2-ylmethyl)methanamine 1-[(2R,4R)-4-methoxypyrrolidin-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) 0.04 0.37 -36.65 3 4 1 51 228.341 5 ↓
Hi High (pH 8-9.5) 0.04 0.57 -40.76 3 4 1 51 228.341 5 ↓
Mid Mid (pH 6-8) 0.04 1.92 -120.98 4 4 2 55 229.349 5 ↓

Analogs

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Popular Name: 1-[(2R,4S)-4-methoxypyrrolidin-2-yl]-N-(thiazol-2-ylmethyl)methanamine 1-[(2R,4S)-4-methoxypyrrolidin-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) 0.04 0.37 -36.96 3 4 1 51 228.341 5 ↓
Hi High (pH 8-9.5) 0.04 0.53 -42.09 3 4 1 51 228.341 5 ↓
Mid Mid (pH 6-8) 0.04 1.92 -122.49 4 4 2 55 229.349 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,4R)-4-methoxypyrrolidin-2-yl]-N-(thiazol-2-ylmethyl)methanamine 1-[(2S,4R)-4-methoxypyrrolidin-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) 0.04 0.54 -40.95 3 4 1 51 228.341 5 ↓
Hi High (pH 8-9.5) 0.04 0.55 -40.11 3 4 1 51 228.341 5 ↓
Mid Mid (pH 6-8) 0.04 1.9 -123.17 4 4 2 55 229.349 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,4S)-4-methoxypyrrolidin-2-yl]-N-(thiazol-2-ylmethyl)methanamine 1-[(2S,4S)-4-methoxypyrrolidin-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) 0.04 0.57 -40.38 3 4 1 51 228.341 5 ↓
Hi High (pH 8-9.5) 0.04 0.68 -39.69 3 4 1 51 228.341 5 ↓
Mid Mid (pH 6-8) 0.04 1.93 -123.2 4 4 2 55 229.349 5 ↓

Analogs

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

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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) 0.56 2.25 -35.03 3 3 1 42 212.342 4 ↓
Mid Mid (pH 6-8) 0.56 3.51 -118.47 4 3 2 46 213.35 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.56 2.22 -35.71 3 3 1 42 212.342 4 ↓
Mid Mid (pH 6-8) 0.56 3.58 -117.75 4 3 2 46 213.35 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methyl]-1-(4-methylthiazol-2-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 1.2 -37.66 3 4 1 51 242.368 5 ↓
Hi High (pH 8-9.5) 0.26 1.32 -38.27 3 4 1 51 242.368 5 ↓
Mid Mid (pH 6-8) 0.26 2.48 -123.21 4 4 2 55 243.376 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,4S)-4-methoxypyrrolidin-2-yl]methyl]-1-(4-methylthiazol-2-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 1.16 -38.08 3 4 1 51 242.368 5 ↓
Hi High (pH 8-9.5) 0.26 1.16 -41.36 3 4 1 51 242.368 5 ↓
Mid Mid (pH 6-8) 0.26 2.53 -122.05 4 4 2 55 243.376 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,4R)-4-methoxypyrrolidin-2-yl]methyl]-1-(4-methylthiazol-2-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 -37.97 3 4 1 51 242.368 5 ↓
Hi High (pH 8-9.5) 0.26 1.27 -40.07 3 4 1 51 242.368 5 ↓
Mid Mid (pH 6-8) 0.26 2.53 -124.55 4 4 2 55 243.376 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,4R)-4-methoxypyrrolidin-2-yl]methyl]-1-(4-methylthiazol-2-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 1.18 -38.04 3 4 1 51 242.368 5 ↓
Hi High (pH 8-9.5) 0.26 1.21 -41.71 3 4 1 51 242.368 5 ↓
Mid Mid (pH 6-8) 0.26 2.54 -122.54 4 4 2 55 243.376 5 ↓

Parameters Provided:

ring.id = 581419
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 = 581419 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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