UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4-benzyloxy-1H-indol-3-yl)methyl-trimethyl-ammonium (4-benzyloxy-1H-indol-3-yl)methy…

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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) -0.29 11.66 -30.61 1 3 1 25 295.406 5 ↓

Analogs

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Popular Name: 2-(4-benzyloxy-1H-indol-3-yl)-N,N-dimethyl-2-oxo-acetamide 2-(4-benzyloxy-1H-indol-3-yl)-N,…

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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) 2.12 9.06 -11.57 1 5 0 62 322.364 5 ↓

Analogs

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Popular Name: 2-(4-benzyloxy-1H-indol-3-yl)-N,N-dimethyl-ethanamine 2-(4-benzyloxy-1H-indol-3-yl)-N,…

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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) 3.90 10.6 -34.84 2 3 1 29 295.406 6 ↓
Hi High (pH 8-9.5) 3.90 8.14 -7.59 1 3 0 28 294.398 6 ↓

Analogs

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Popular Name: ethyl 4-[(4-chlorobenzyl)oxy]-1H-indole-2-carboxylate ethyl 4-[(4-chlorobenzyl)oxy]-1H…

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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) 4.89 9.76 -9.06 1 4 0 51 329.783 6 ↓

Parameters Provided:

ring.id = 20461
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 = 20461 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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