UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4866679
4866679
3524897
3524897

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Popular Name: N,N-dibenzyl-2-(5-chloro-6-methyl-benzofuran-3-yl)acetamide N,N-dibenzyl-2-(5-chloro-6-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) 5.55 14.64 -12.71 0 3 0 33 403.909 6 ↓

Analogs

4866679
4866679
4820414
4820414

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Popular Name: N,N-dibenzyl-2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)acetamide N,N-dibenzyl-2-(5-chloro-4,6-dim…

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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) 5.93 14.92 -12.79 0 3 0 33 417.936 6 ↓

Analogs

8324168
8324168
3524900
3524900
1105713
1105713

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Popular Name: N,N-dibenzyl-2-(6-methylbenzofuran-3-yl)acetamide N,N-dibenzyl-2-(6-methylbenzofur…

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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) 4.94 14.22 -13.51 0 3 0 33 369.464 6 ↓

Analogs

16753222
16753222

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Popular Name: N,N-dibenzyl-2-(5-methylbenzofuran-3-yl)acetamide N,N-dibenzyl-2-(5-methylbenzofur…

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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) 4.94 14.22 -13.52 0 3 0 33 369.464 6 ↓

Analogs

16753222
16753222
6809754
6809754
6809764
6809764

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Popular Name: N,N-dibenzyl-2-(5-ethylbenzofuran-3-yl)acetamide N,N-dibenzyl-2-(5-ethylbenzofura…

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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) 5.41 14.98 -13.21 0 3 0 33 383.491 7 ↓

Parameters Provided:

ring.id = 3051
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 = 3051 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=3051&filter.purchasability=annotated

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