UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34947769
34947769
34947771
34947771
34947778
34947778

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Popular Name: 2-(1H-indol-3-yl)-N-methyl-N-(2-pyridylmethyl)acetamide 2-(1H-indol-3-yl)-N-methyl-N-(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) 1.85 7.66 -12.16 1 4 0 49 279.343 4 ↓
Lo Low (pH 4.5-6) 1.85 8.15 -34.3 2 4 1 50 280.351 4 ↓

Analogs

6675979
6675979

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Popular Name: N-methyl-2-(1-methylindol-3-yl)-N-(2-pyridylmethyl)acetamide N-methyl-2-(1-methylindol-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) 1.91 9.38 -17.25 0 4 0 38 293.37 4 ↓
Lo Low (pH 4.5-6) 1.91 9.81 -40.71 1 4 1 39 294.378 4 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-2-(4-methyl-1H-indol-3-yl)-N-(2-pyridylmethyl)acetamide N-(2-methoxyethyl)-2-(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) 2.23 8.11 -16.87 1 5 0 58 337.423 7 ↓
Lo Low (pH 4.5-6) 2.23 8.54 -40.06 2 5 1 59 338.431 7 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-2-(6-methyl-1H-indol-3-yl)-N-(2-pyridylmethyl)acetamide N-(2-methoxyethyl)-2-(6-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) 2.25 8.41 -17 1 5 0 58 337.423 7 ↓
Lo Low (pH 4.5-6) 2.25 8.84 -39.81 2 5 1 59 338.431 7 ↓

Parameters Provided:

ring.id = 81222
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 = 81222 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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