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

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-4-ylmethyl)ethanamine (1S)-1-(4-methyl-1,2,4-triazol-3…

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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) -0.60 4.34 -14.73 1 6 0 69 218.264 4 ↓
Mid Mid (pH 6-8) -0.60 5.62 -48.61 2 6 1 73 219.272 4 ↓

Analogs

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Popular Name: (1R)-1-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-4-ylmethyl)ethanamine (1R)-1-(4-methyl-1,2,4-triazol-3…

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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) -0.60 4.45 -15.22 1 6 0 69 218.264 4 ↓
Mid Mid (pH 6-8) -0.60 5.62 -50.42 2 6 1 73 219.272 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine 1-(4-methyl-1,2,4-triazol-3-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) -1.16 3.96 -13.97 1 6 0 69 204.237 4 ↓
Lo Low (pH 4.5-6) -1.16 5.32 -53.28 2 6 1 73 205.245 4 ↓

Analogs

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Popular Name: (1S)-N-[(2-methylpyrimidin-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (1S)-N-[(2-methylpyrimidin-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) -0.52 4.42 -16.45 1 6 0 69 232.291 4 ↓
Mid Mid (pH 6-8) -0.52 5.58 -48.86 2 6 1 73 233.299 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(2-methylpyrimidin-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (1R)-N-[(2-methylpyrimidin-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) -0.52 4.31 -16.38 1 6 0 69 232.291 4 ↓
Mid Mid (pH 6-8) -0.52 5.58 -50.69 2 6 1 73 233.299 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methylpyrimidin-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine 1-(2-methylpyrimidin-4-yl)-N-[(4…

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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) -1.08 3.93 -13.55 1 6 0 69 218.264 4 ↓
Lo Low (pH 4.5-6) -1.08 5.28 -53.53 2 6 1 73 219.272 4 ↓

Parameters Provided:

ring.id = 154531
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 = 154531 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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