UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

541327
541327

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Popular Name: 1-[2-hydroxy-2-(5-methoxy-1H-indol-3-yl)-ethyl]piperidine-4-carboxamide 1-[2-hydroxy-2-(5-methoxy-1H-ind…

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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) 0.84 2.01 -47.11 5 6 1 93 318.397 5 ↓

Analogs

541326
541326

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Popular Name: 1-[2-hydroxy-2-(5-methoxy-1H-indol-3-yl)-ethyl]piperidine-4-carboxamide 1-[2-hydroxy-2-(5-methoxy-1H-ind…

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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) 0.84 2.01 -47.16 5 6 1 93 318.397 5 ↓

Analogs

542681
542681
4862786
4862786
4862787
4862787

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Popular Name: 1-[(2S)-2-hydroxy-2-(1H-indol-3-yl)ethyl]piperidin-1-ium-4-carboxamide 1-[(2S)-2-hydroxy-2-(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) 0.81 -4.83 -47.28 5 5 1 83 288.371 4 ↓

Analogs

4862786
4862786
4862787
4862787
542680
542680

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Popular Name: 1-[(2R)-2-hydroxy-2-(1H-indol-3-yl)ethyl]piperidin-1-ium-4-carboxamide 1-[(2R)-2-hydroxy-2-(1H-indol-3-…

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) 0.81 -4.73 -47.35 5 5 1 83 288.371 4 ↓

Parameters Provided:

ring.id = 34593
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 = 34593 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=34593&filter.purchasability=annotated

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