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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-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-nitro-pyridin-2-amine N-[(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) -0.17 6.13 -17.1 1 8 0 101 234.219 4 ↓

Analogs

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Popular Name: N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-nitro-pyridin-2-amine N-[(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) 0.05 5.92 -15.79 1 8 0 101 234.219 4 ↓

Analogs

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Popular Name: 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carbonitrile 2-[(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) -0.37 5.94 -14.2 1 6 0 79 214.232 3 ↓

Analogs

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Popular Name: 6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carbonitrile 6-[(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) -0.32 5.66 -14.99 1 6 0 79 214.232 3 ↓

Analogs

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Popular Name: 3-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-nitro-pyridin-2-amine 3-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) 0.99 7.68 -11.95 1 8 0 101 262.273 4 ↓

Analogs

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Popular Name: 3-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-nitro-pyridin-2-amine 3-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) 0.99 7.68 -11.93 1 8 0 101 262.273 4 ↓

Analogs

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Popular Name: 3-methyl-N2-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2,5-diamine 3-methyl-N2-[(4-methyl-1,2,4-tri…

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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) -0.05 4.54 -36.59 4 6 1 83 219.272 3 ↓
Mid Mid (pH 6-8) -0.05 4.18 -12.07 3 6 0 82 218.264 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N2-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine 3-methyl-N2-[(1S)-1-(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) 0.51 5.22 -36.25 4 6 1 83 233.299 3 ↓
Mid Mid (pH 6-8) 0.51 4.87 -11.08 3 6 0 82 232.291 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N2-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine 3-methyl-N2-[(1R)-1-(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) 0.51 5.23 -36.2 4 6 1 83 233.299 3 ↓
Mid Mid (pH 6-8) 0.51 4.87 -11.07 3 6 0 82 232.291 3 ↓

Analogs

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Popular Name: 3-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine 3-fluoro-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) 0.04 5.63 -12.12 1 5 0 56 207.212 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine 3-fluoro-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) 0.60 6.31 -12.45 1 5 0 56 221.239 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine 3-fluoro-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) 0.60 6.31 -12.48 1 5 0 56 221.239 3 ↓

Analogs

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Popular Name: 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic 2-[(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) -0.55 6.7 -53.65 2 7 0 97 233.231 4 ↓
Mid Mid (pH 6-8) -0.55 6.36 -53.82 1 7 -1 96 232.223 4 ↓

Analogs

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Popular Name: methyl 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) -0.30 6.43 -15.09 1 7 0 82 247.258 5 ↓
Lo Low (pH 4.5-6) -0.30 6.79 -46.37 2 7 1 83 248.266 5 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 11240 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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