UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12222086
12222086

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Popular Name: N-[3-[2-(2-methyl-3-pyridyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropanecarboxamide N-[3-[2-(2-methyl-3-pyridyl)pyrr…

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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) 2.40 -1.73 -12.4 1 5 0 60 334.423 6 ↓
Lo Low (pH 4.5-6) 2.40 -1.66 -44.97 2 5 1 61 335.431 6 ↓
Lo Low (pH 4.5-6) 2.40 -1.58 -40.96 2 5 1 61 335.431 6 ↓

Analogs

12222804
12222804
12222805
12222805
12222806
12222806

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Popular Name: (1S,2R)-2-methyl-N-[3-[2-(2-methyl-3-pyridyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carbox (1S,2R)-2-methyl-N-[3-[2-(2-meth…

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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) 3.01 -1.53 -11.67 1 5 0 60 348.45 6 ↓
Lo Low (pH 4.5-6) 3.01 -1.46 -43.94 2 5 1 61 349.458 6 ↓
Lo Low (pH 4.5-6) 3.01 -1.4 -40.17 2 5 1 61 349.458 6 ↓

Analogs

12222805
12222805
12222806
12222806
12222803
12222803

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Popular Name: (1S,2S)-2-methyl-N-[3-[2-(2-methyl-3-pyridyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carbox (1S,2S)-2-methyl-N-[3-[2-(2-meth…

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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) 3.01 -1.41 -12.26 1 5 0 60 348.45 6 ↓
Lo Low (pH 4.5-6) 3.01 -1.34 -44.74 2 5 1 61 349.458 6 ↓
Lo Low (pH 4.5-6) 3.01 -1.28 -40.9 2 5 1 61 349.458 6 ↓

Analogs

12222806
12222806
12222803
12222803
12222804
12222804

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-methyl-N-[3-[2-(2-methyl-3-pyridyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carbox (1R,2R)-2-methyl-N-[3-[2-(2-meth…

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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) 3.01 -1.47 -12.3 1 5 0 60 348.45 6 ↓
Lo Low (pH 4.5-6) 3.01 -1.41 -44.78 2 5 1 61 349.458 6 ↓
Lo Low (pH 4.5-6) 3.01 -1.35 -40.89 2 5 1 61 349.458 6 ↓

Analogs

12222803
12222803
12222804
12222804

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methyl-N-[3-[2-(2-methyl-3-pyridyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carbox (1R,2S)-2-methyl-N-[3-[2-(2-meth…

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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) 3.01 -1.6 -11.64 1 5 0 60 348.45 6 ↓
Lo Low (pH 4.5-6) 3.01 -1.53 -44.04 2 5 1 61 349.458 6 ↓
Lo Low (pH 4.5-6) 3.01 -1.47 -40.18 2 5 1 61 349.458 6 ↓

Parameters Provided:

ring.id = 93776
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 = 93776 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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