UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19864798
19864798
19864801
19864801
19864804
19864804

Draw Identity 99% 90% 80% 70%

Popular Name: dihydroxy-tetramethyl-BLAHone dihydroxy-tetramethyl-BLAHone

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) 2.43 3.39 -8.47 2 3 0 58 260.333 0 ↓

Analogs

19864801
19864801
19864804
19864804
19864796
19864796

Draw Identity 99% 90% 80% 70%

Popular Name: dihydroxy-tetramethyl-BLAHone dihydroxy-tetramethyl-BLAHone

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) 2.43 3.15 -8.69 2 3 0 58 260.333 0 ↓

Analogs

19864804
19864804
19864796
19864796
19864798
19864798

Draw Identity 99% 90% 80% 70%

Popular Name: dihydroxy-tetramethyl-BLAHone dihydroxy-tetramethyl-BLAHone

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) 2.43 3.47 -10.16 2 3 0 58 260.333 0 ↓

Analogs

19864796
19864796
19864801
19864801
19864798
19864798

Draw Identity 99% 90% 80% 70%

Popular Name: dihydroxy-tetramethyl-BLAHone dihydroxy-tetramethyl-BLAHone

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) 2.43 3.18 -8.3 2 3 0 58 260.333 0 ↓

Parameters Provided:

ring.id = 53156
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 = 53156 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=53156&filter.purchasability=annotated

Embed Link to Results