UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6601416
6601416

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Popular Name: 4-amino-N'-(2-dimethylaminoethyl)-N'-[(4-methoxyphenyl)-(tetrahydrofuran-2-ylmethylcarbamoyl)methyl] 4-amino-N'-(2-dimethylaminoethyl…

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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) 0.36 -7.03 -45.08 6 11 1 154 505.621 11 ↓

Analogs

6090060
6090060
6090061
6090061

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Popular Name: 4-amino-N'-(2-dimethylaminoethyl)-N'-[(4-methoxyphenyl)-(tetrahydrofuran-2-ylmethylcarbamoyl)methyl] 4-amino-N'-(2-dimethylaminoethyl…

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) 0.36 -7.3 -45.89 6 11 1 154 505.621 11 ↓

Analogs

6090060
6090060
6090061
6090061

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N'-(2-dimethylaminoethyl)-N'-[(4-methoxyphenyl)-(tetrahydrofuran-2-ylmethylcarbamoyl)methyl] 4-amino-N'-(2-dimethylaminoethyl…

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) 0.36 -6.74 -45.36 6 11 1 154 505.621 11 ↓

Analogs

6090060
6090060
6090061
6090061

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N'-(2-dimethylaminoethyl)-N'-[(4-methoxyphenyl)-(tetrahydrofuran-2-ylmethylcarbamoyl)methyl] 4-amino-N'-(2-dimethylaminoethyl…

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) 0.36 -6.69 -44.97 6 11 1 154 505.621 11 ↓

Parameters Provided:

ring.id = 4695
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 = 4695 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=4695&filter.purchasability=annotated

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