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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: (1R)-1-(2,5-dimethylthiazol-4-yl)-N-(4H-1,2,4-triazol-3-ylmethyl)ethanamine (1R)-1-(2,5-dimethylthiazol-4-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) 0.12 4.45 -34.88 3 5 1 71 238.34 4 ↓
Hi High (pH 8-9.5) 0.12 4.27 -31.86 2 5 0 69 237.332 4 ↓
Hi High (pH 8-9.5) 0.12 3.22 -9.56 2 5 0 66 237.332 4 ↓

Analogs

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Popular Name: (1S)-1-(2,5-dimethylthiazol-4-yl)-N-(4H-1,2,4-triazol-3-ylmethyl)ethanamine (1S)-1-(2,5-dimethylthiazol-4-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) 0.12 4.44 -34.89 3 5 1 71 238.34 4 ↓
Hi High (pH 8-9.5) 0.12 4.26 -31.67 2 5 0 69 237.332 4 ↓
Hi High (pH 8-9.5) 0.12 3.17 -9.34 2 5 0 66 237.332 4 ↓

Analogs

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Popular Name: 1-(2-methylthiazol-4-yl)-N-(4H-1,2,4-triazol-3-ylmethyl)methanamine 1-(2-methylthiazol-4-yl)-N-(4H-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) -0.66 3.1 -38.64 3 5 1 71 210.286 4 ↓
Hi High (pH 8-9.5) -0.66 2.92 -34.77 2 5 0 69 209.278 4 ↓

Analogs

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Popular Name: N-ethyl-N-[4-[(4H-1,2,4-triazol-3-ylmethylamino)methyl]thiazol-2-yl]acetamide N-ethyl-N-[4-[(4H-1,2,4-triazol-…

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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) -0.41 5.17 -43.04 3 7 1 91 281.365 6 ↓
Hi High (pH 8-9.5) -0.41 5 -41.54 2 7 0 90 280.357 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-methylthiazol-4-yl)-N-(4H-1,2,4-triazol-3-ylmethyl)ethanamine (1R)-1-(2-methylthiazol-4-yl)-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) -0.10 3.81 -34.57 3 5 1 71 224.313 4 ↓
Hi High (pH 8-9.5) -0.10 3.63 -32.24 2 5 0 69 223.305 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-methylthiazol-4-yl)-N-(4H-1,2,4-triazol-3-ylmethyl)ethanamine (1S)-1-(2-methylthiazol-4-yl)-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) -0.10 3.82 -34.62 3 5 1 71 224.313 4 ↓
Hi High (pH 8-9.5) -0.10 3.64 -32.11 2 5 0 69 223.305 4 ↓

Parameters Provided:

ring.id = 584297
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 = 584297 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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