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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: N-[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-2-phenyl-pyrimidin-4 N-[[(6S)-3-methyl-5,6,7,8-tetrah…

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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) 2.13 10.09 -18.63 1 6 0 69 320.4 4 ↓
Lo Low (pH 4.5-6) 2.13 10.44 -48.08 2 6 1 70 321.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-2-phenyl-pyrimidin-4 N-[[(6R)-3-methyl-5,6,7,8-tetrah…

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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) 2.13 10.11 -18.6 1 6 0 69 320.4 4 ↓
Lo Low (pH 4.5-6) 2.13 10.46 -48.11 2 6 1 70 321.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-2-phenyl-pyrimidin-4- N-[[(6S)-3-ethyl-5,6,7,8-tetrahy…

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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) 2.70 10.7 -18.26 1 6 0 69 334.427 5 ↓
Lo Low (pH 4.5-6) 2.70 11.05 -47.93 2 6 1 70 335.435 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-2-phenyl-pyrimidin-4- N-[[(6R)-3-ethyl-5,6,7,8-tetrahy…

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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) 2.70 10.73 -18.22 1 6 0 69 334.427 5 ↓
Lo Low (pH 4.5-6) 2.70 11.08 -47.92 2 6 1 70 335.435 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(6S)-3-isopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-2-phenyl-pyrimidi N-[[(6S)-3-isopropyl-5,6,7,8-tet…

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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) 3.19 11.14 -17.92 1 6 0 69 348.454 5 ↓
Lo Low (pH 4.5-6) 3.19 11.5 -47.7 2 6 1 70 349.462 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(6R)-3-isopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-2-phenyl-pyrimidi N-[[(6R)-3-isopropyl-5,6,7,8-tet…

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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) 3.19 11.15 -17.94 1 6 0 69 348.454 5 ↓
Lo Low (pH 4.5-6) 3.19 11.5 -47.69 2 6 1 70 349.462 5 ↓

Parameters Provided:

ring.id = 430170
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 = 430170 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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