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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] [2-(2-methyl-1H-indol-3-yl)-2-ox…

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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) 3.78 2.87 -19.55 1 7 0 104 364.357 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] [2-(7-ethyl-1H-indol-3-yl)-2-oxo…

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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) 4.42 3.18 -21.86 1 7 0 104 378.384 8 ↓

Analogs

5779250
5779250

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Popular Name: [1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] [1-methyl-2-(2-methyl-1H-indol-3…

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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) 4.14 3.16 -18.54 1 7 0 104 378.384 7 ↓

Analogs

5779246
5779246

Draw Identity 99% 90% 80% 70%

Popular Name: [1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] [1-methyl-2-(2-methyl-1H-indol-3…

Find On: PubMed — Wikipedia — Google

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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) 4.14 3.15 -18.57 1 7 0 104 378.384 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] [2-(2-methyl-1H-indol-3-yl)-2-ox…

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) 3.68 3.14 -16.53 1 7 0 86 409.438 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] [2-(2-methyl-1H-indol-3-yl)-2-ox…

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) 3.89 11.68 -20.62 1 6 0 92 374.396 8 ↓

Parameters Provided:

ring.id = 2422
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 = 2422 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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