UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20992696
20992696
20992701
20992701
9687222
9687222

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Popular Name: N-(2-diethylaminoethyl)-2-(4,6-dimethyl-3-pyrrol-1-yl-pyrazolo[5,4-b]pyridin-1-yl)acetamide N-(2-diethylaminoethyl)-2-(4,6-d…

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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) 2.30 10.59 -49.44 2 7 1 69 369.493 8 ↓
Hi High (pH 8-9.5) 2.30 8.37 -19.09 1 7 0 68 368.485 8 ↓

Analogs

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Popular Name: 2-(4,6-dimethyl-3-pyrrol-1-yl-pyrazolo[5,4-b]pyridin-1-yl)-N-(3-propylsulfanylpropyl)acetamide 2-(4,6-dimethyl-3-pyrrol-1-yl-py…

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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) 3.20 11.41 -18.51 1 6 0 65 385.537 9 ↓

Analogs

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Popular Name: N-(3-butylsulfanylpropyl)-2-(4,6-dimethyl-3-pyrrol-1-yl-pyrazolo[5,4-b]pyridin-1-yl)acetamide N-(3-butylsulfanylpropyl)-2-(4,6…

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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) 3.76 12.19 -18.46 1 6 0 65 399.564 10 ↓

Analogs

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Popular Name: 2-[3-(2,5-dimethylpyrrol-1-yl)-4,6-dimethyl-pyrazolo[5,4-b]pyridin-1-yl]-N-(3-methoxypropyl)acetamid 2-[3-(2,5-dimethylpyrrol-1-yl)-4…

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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) 2.22 8.52 -18.64 1 7 0 74 369.469 7 ↓

Analogs

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Popular Name: 2-[3-(2,5-dimethylpyrrol-1-yl)-4,6-dimethyl-pyrazolo[5,4-b]pyridin-1-yl]-N-ethyl-acetamide 2-[3-(2,5-dimethylpyrrol-1-yl)-4…

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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) 2.34 8.81 -18.53 1 6 0 65 325.416 4 ↓

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-4-(4,6-dimethyl-3-pyrrol-1-yl-pyrazolo[5,4-b]pyridin-1-yl)butanamide N-(2-dimethylaminoethyl)-4-(4,6-…

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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) 2.09 10.53 -52.19 2 7 1 69 369.493 8 ↓
Hi High (pH 8-9.5) 2.09 7.99 -19.69 1 7 0 68 368.485 8 ↓

Analogs

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Popular Name: 4-(4,6-dimethyl-3-pyrrol-1-yl-pyrazolo[5,4-b]pyridin-1-yl)-N-propyl-butanamide 4-(4,6-dimethyl-3-pyrrol-1-yl-py…

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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) 2.94 9.88 -18.98 1 6 0 65 339.443 7 ↓

Analogs

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Popular Name: 4-(4,6-dimethyl-3-pyrrol-1-yl-pyrazolo[5,4-b]pyridin-1-yl)-N-(2-methoxyethyl)butanamide 4-(4,6-dimethyl-3-pyrrol-1-yl-py…

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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) 2.05 8.19 -18.91 1 7 0 74 355.442 8 ↓

Analogs

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Popular Name: 4-(4,6-dimethyl-3-pyrrol-1-yl-pyrazolo[5,4-b]pyridin-1-yl)-N-(3-ethoxypropyl)butanamide 4-(4,6-dimethyl-3-pyrrol-1-yl-py…

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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) 2.69 9.92 -19.2 1 7 0 74 383.496 10 ↓

Analogs

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Popular Name: 4-(4,6-dimethyl-3-pyrrol-1-yl-pyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxypropyl)butanamide 4-(4,6-dimethyl-3-pyrrol-1-yl-py…

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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) 2.32 8.94 -19.34 1 7 0 74 369.469 9 ↓

Analogs

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Popular Name: 4-(4,6-dimethyl-3-pyrrol-1-yl-pyrazolo[5,4-b]pyridin-1-yl)-N-ethyl-butanamide 4-(4,6-dimethyl-3-pyrrol-1-yl-py…

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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) 2.44 9.13 -19.02 1 6 0 65 325.416 6 ↓

Analogs

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Popular Name: N-butyl-4-(4,6-dimethyl-3-pyrrol-1-yl-pyrazolo[5,4-b]pyridin-1-yl)butanamide N-butyl-4-(4,6-dimethyl-3-pyrrol…

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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) 3.50 10.66 -18.89 1 6 0 65 353.47 8 ↓

Parameters Provided:

ring.id = 92341
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 = 92341 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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