UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16033735
16033735
16033736
16033736

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Popular Name: N-[2-(3-fluorophenyl)ethyl]-dimethyl-oxo-BLAHcarboxamide N-[2-(3-fluorophenyl)ethyl]-dime…

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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) 3.37 -0.86 -18.78 1 4 0 49 384.476 4 ↓

Analogs

16033735
16033735
16033736
16033736

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3-fluorophenyl)ethyl]-dimethyl-oxo-BLAHcarboxamide N-[2-(3-fluorophenyl)ethyl]-dime…

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) 3.37 -1 -22.46 1 4 0 49 384.476 4 ↓

Analogs

16007386
16007386
16007388
16007388
33887437
33887437
33887438
33887438
33887439
33887439

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Popular Name: N-[2-(4-chlorophenyl)ethyl]-oxo-BLAHcarboxamide N-[2-(4-chlorophenyl)ethyl]-oxo-…

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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) 3.10 -2.54 -22.45 1 4 0 49 372.877 4 ↓

Analogs

16007386
16007386
16007388
16007388
33850256
33850256
33850257
33850257
33850258
33850258

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-chlorophenyl)ethyl]-oxo-BLAHcarboxamide N-[2-(4-chlorophenyl)ethyl]-oxo-…

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) 3.10 -2.53 -19.2 1 4 0 49 372.877 4 ↓

Parameters Provided:

ring.id = 1446
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 = 1446 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=1446&filter.purchasability=annotated

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