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

Analogs

2539043
2539043

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Popular Name: 2-methyl-1-[2-(4-piperidyl)ethyl]indole 2-methyl-1-[2-(4-piperidyl)ethyl…

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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) 3.11 9.2 -44.23 2 2 1 22 243.374 3 ↓

Analogs

27520047
27520047

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Popular Name: 7-ethyl-1-[2-(4-piperidyl)ethyl]indole 7-ethyl-1-[2-(4-piperidyl)ethyl]…

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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 9.64 -45.14 2 2 1 22 257.401 4 ↓

Analogs

27519387
27519387

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Popular Name: 5-methoxy-1-[2-(4-piperidyl)ethyl]indole 5-methoxy-1-[2-(4-piperidyl)ethy…

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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) 2.92 8.01 -46.9 2 3 1 31 259.373 4 ↓

Analogs

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Popular Name: 6-fluoro-1-[2-(4-piperidyl)ethyl]indole 6-fluoro-1-[2-(4-piperidyl)ethyl…

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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) 3.03 8.79 -44.16 2 2 1 22 247.337 3 ↓

Analogs

27519383
27519383

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Popular Name: 4-methyl-1-[2-(4-piperidyl)ethyl]indole 4-methyl-1-[2-(4-piperidyl)ethyl…

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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) 3.29 9.36 -43.95 2 2 1 22 243.374 3 ↓

Analogs

27519385
27519385
27519383
27519383

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-1-[2-(4-piperidyl)ethyl]indole 6-methyl-1-[2-(4-piperidyl)ethyl…

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) 3.31 9.39 -44.12 2 2 1 22 243.374 3 ↓

Analogs

6401983
6401983
13281472
13281472

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Popular Name: 3-methyl-1-[2-(4-piperidyl)ethyl]indole 3-methyl-1-[2-(4-piperidyl)ethyl…

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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) 3.27 9.4 -43.9 2 2 1 22 243.374 3 ↓

Parameters Provided:

ring.id = 566582
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 = 566582 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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