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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: 2-chloro-6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine 2-chloro-6-methyl-N-[(4-methyl-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) 0.46 5.5 -14.94 1 6 0 69 238.682 3 ↓

Analogs

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Popular Name: 2-chloro-6-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine 2-chloro-6-methyl-N-[(1S)-1-(4-m…

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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) 1.02 6.06 -16.39 1 6 0 69 252.709 3 ↓

Analogs

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Popular Name: 2-chloro-6-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine 2-chloro-6-methyl-N-[(1R)-1-(4-m…

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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) 1.02 6.05 -16.46 1 6 0 69 252.709 3 ↓

Analogs

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Popular Name: 6-chloro-2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine 6-chloro-2-methyl-N-[(4-methyl-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) 0.13 5.47 -12.91 1 6 0 69 238.682 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-2-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine 6-chloro-2-methyl-N-[(1S)-1-(4-m…

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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) 0.69 6.03 -13.18 1 6 0 69 252.709 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-2-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine 6-chloro-2-methyl-N-[(1R)-1-(4-m…

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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) 0.69 6.02 -13.21 1 6 0 69 252.709 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine 2-methyl-N-[(4-methyl-1,2,4-tria…

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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) -0.89 5.05 -14 1 6 0 69 204.237 3 ↓
Mid Mid (pH 6-8) -0.89 5.49 -41.69 2 6 1 70 205.245 3 ↓

Analogs

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Popular Name: 2-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine 2-methyl-N-[(1S)-1-(4-methyl-1,2…

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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) -0.33 5.61 -15.06 1 6 0 69 218.264 3 ↓
Mid Mid (pH 6-8) -0.33 6.05 -43.12 2 6 1 70 219.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine 2-methyl-N-[(1R)-1-(4-methyl-1,2…

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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) -0.33 5.6 -15.15 1 6 0 69 218.264 3 ↓
Mid Mid (pH 6-8) -0.33 6.04 -43.08 2 6 1 70 219.272 3 ↓

Analogs

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Popular Name: 6-(2-aminoethyl)-N-[(4-isopropyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethyl-pyrimidin-4-amine 6-(2-aminoethyl)-N-[(4-isopropyl…

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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) -0.47 7.05 -55.76 3 7 1 87 290.395 6 ↓
Lo Low (pH 4.5-6) -0.47 7.38 -110.16 4 7 2 89 291.403 6 ↓

Parameters Provided:

ring.id = 23493
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 = 23493 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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