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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: 4-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine 4-[(2S)-2-[(3,5-dimethyl-1,2,4-t…

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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) 0.49 8.89 -16.93 1 7 0 76 297.366 3 ↓
Lo Low (pH 4.5-6) 0.49 9.32 -39.75 2 7 1 77 298.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine 4-[(2R)-2-[(3,5-dimethyl-1,2,4-t…

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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) 0.49 9.19 -11.76 1 7 0 76 297.366 3 ↓
Lo Low (pH 4.5-6) 0.49 9.62 -32.84 2 7 1 77 298.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine 4-[(2R)-2-(1,2,4-triazol-1-ylmet…

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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 9.19 -13.67 1 7 0 76 269.312 3 ↓
Lo Low (pH 4.5-6) 0.32 9.65 -28.2 2 7 1 77 270.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine 4-[(2S)-2-(1,2,4-triazol-1-ylmet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 9.46 -14.66 1 7 0 76 269.312 3 ↓
Lo Low (pH 4.5-6) 0.32 9.93 -35.86 2 7 1 77 270.32 3 ↓

Parameters Provided:

ring.id = 355808
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 = 355808 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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