UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19727344
19727344
19727346
19727346
19727348
19727348
33740567
33740567
33740568
33740568

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Popular Name: O6-methyl O6-methyl

Find On: PubMed — Wikipedia — Google

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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) 6.71 16.5 -22.96 1 6 0 82 487.596 8 ↓

Analogs

19727346
19727346
19727348
19727348
33740567
33740567
33740568
33740568
33740569
33740569

Draw Identity 99% 90% 80% 70%

Popular Name: O6-methyl O6-methyl

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) 6.71 16.49 -23.14 1 6 0 82 487.596 8 ↓

Analogs

19727348
19727348
33740567
33740567
33740568
33740568
33740569
33740569
33740570
33740570

Draw Identity 99% 90% 80% 70%

Popular Name: O6-methyl O6-methyl

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) 6.71 16.49 -23.52 1 6 0 82 487.596 8 ↓

Analogs

33740567
33740567
33740568
33740568
33740569
33740569
33740570
33740570
19727342
19727342

Draw Identity 99% 90% 80% 70%

Popular Name: O6-methyl O6-methyl

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) 6.71 16.49 -23.23 1 6 0 82 487.596 8 ↓

Parameters Provided:

ring.id = 52462
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 = 52462 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=52462&filter.purchasability=annotated

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