UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20893959
20893959
20893962
20893962
6011599
6011599
6011600
6011600

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Popular Name: bis[(1S)-1-methyl-2-(m-tolylamino)-2-oxo-ethyl] bis[(1S)-1-methyl-2-(m-tolylamin…

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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) 3.74 11.99 -21.8 2 8 0 111 438.48 10 ↓

Analogs

20893962
20893962
20893956
20893956
6011599
6011599
6011600
6011600

Draw Identity 99% 90% 80% 70%

Popular Name: bis[(1S)-1-methyl-2-(m-tolylamino)-2-oxo-ethyl] bis[(1S)-1-methyl-2-(m-tolylamin…

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) 3.74 12.02 -22.11 2 8 0 111 438.48 10 ↓

Analogs

20893956
20893956
20893959
20893959
6011599
6011599

Draw Identity 99% 90% 80% 70%

Popular Name: bis[(1R)-1-methyl-2-(m-tolylamino)-2-oxo-ethyl] bis[(1R)-1-methyl-2-(m-tolylamin…

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) 3.74 11.94 -21.11 2 8 0 111 438.48 10 ↓

Parameters Provided:

ring.id = 78721
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 = 78721 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=78721&filter.purchasability=annotated

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