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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4343997
4343997
4343998
4343998
4344000
4344000
13465864
13465864
13465866
13465866

Draw Identity 99% 90% 80% 70%

Popular Name: hydroxy-dimethyl-trioxo-BLAHcarbonitrile hydroxy-dimethyl-trioxo-BLAHcarb…

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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) 1.10 2.82 -43.19 2 6 0 107 411.498 0 ↓

Analogs

4343998
4343998
4344000
4344000
13465864
13465864
13465866
13465866
13465868
13465868

Draw Identity 99% 90% 80% 70%

Popular Name: hydroxy-dimethyl-trioxo-BLAHcarbonitrile hydroxy-dimethyl-trioxo-BLAHcarb…

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) 1.10 3.23 -23.2 2 6 0 107 411.498 0 ↓
Mid Mid (pH 6-8) 0.52 3.59 -38.51 1 6 0 104 411.498 0 ↓

Analogs

4344000
4344000
13465864
13465864
13465866
13465866
13465868
13465868
13465870
13465870

Draw Identity 99% 90% 80% 70%

Popular Name: hydroxy-dimethyl-trioxo-BLAHcarbonitrile hydroxy-dimethyl-trioxo-BLAHcarb…

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) 1.10 3.51 -45.63 2 6 0 107 411.498 0 ↓
Mid Mid (pH 6-8) 0.52 2.7 -62.64 1 6 0 104 411.498 0 ↓

Analogs

13465864
13465864
13465866
13465866
13465868
13465868
13465870
13465870
4343994
4343994

Draw Identity 99% 90% 80% 70%

Popular Name: hydroxy-dimethyl-trioxo-BLAHcarbonitrile hydroxy-dimethyl-trioxo-BLAHcarb…

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) 1.10 3.08 -24.27 2 6 0 107 411.498 0 ↓
Mid Mid (pH 6-8) 0.52 3.51 -39.69 1 6 0 104 411.498 0 ↓

Parameters Provided:

ring.id = 247473
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 = 247473 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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