UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6548869
6548869

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Popular Name: 1-acetyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide 1-acetyl-N-[2-(6-methyl-1H-indol…

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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) 1.96 7.11 -20.74 2 5 0 65 327.428 4 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 2.60 8.94 -17.8 2 6 0 74 403.498 6 ↓

Analogs

39674122
39674122
39674123
39674123

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Popular Name: tert-butyl tert-butyl

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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) 3.43 8.91 -17.08 2 6 0 74 385.508 6 ↓

Analogs

40852530
40852530

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Popular Name: N-[2-(1H-indol-3-yl)ethyl]-4-methyl-piperidine-4-carboxamide N-[2-(1H-indol-3-yl)ethyl]-4-met…

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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) 2.15 5.72 -45.15 4 4 1 61 286.399 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-acetyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide 1-acetyl-N-[2-(2-methyl-1H-indol…

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) 1.76 7.04 -17.82 2 5 0 65 327.428 4 ↓

Parameters Provided:

ring.id = 181695
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 = 181695 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=181695&filter.purchasability=annotated

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