UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[[3-methyl-4-(m-tolyl)piperazin-1-yl]carbonylmethyl]-3-(o-tolylmethyl)imidazolidin-2-one 1-[[3-methyl-4-(m-tolyl)piperazi…

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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) 3.59 -0.42 -18.36 0 6 0 47 420.557 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[3-methyl-4-(m-tolyl)piperazin-1-yl]carbonylmethyl]-3-(o-tolylmethyl)imidazolidin-2-one 1-[[3-methyl-4-(m-tolyl)piperazi…

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) 3.59 -0.37 -17.72 0 6 0 47 420.557 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[3-methyl-4-(m-tolyl)piperazin-1-yl]carbonylmethyl]-3-(m-tolylmethyl)imidazolidin-2-one 1-[[3-methyl-4-(m-tolyl)piperazi…

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) 3.62 -1.12 -17.84 0 6 0 47 420.557 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[3-methyl-4-(m-tolyl)piperazin-1-yl]carbonylmethyl]-3-(m-tolylmethyl)imidazolidin-2-one 1-[[3-methyl-4-(m-tolyl)piperazi…

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) 3.62 -1.12 -18.59 0 6 0 47 420.557 5 ↓

Parameters Provided:

ring.id = 3730
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 = 3730 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=3730&filter.purchasability=annotated

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