UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41480448
41480448
41480451
41480451
41480454
41480454

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Popular Name: (2S)-3-[(2S)-1,4-dioxan-2-yl]-3-oxo-2-(2-pyridyl)propanenitrile (2S)-3-[(2S)-1,4-dioxan-2-yl]-3-…

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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) -0.68 4.19 -11.09 0 5 0 72 232.239 3 ↓

Analogs

41480451
41480451
41480454
41480454
41480445
41480445

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(2S)-1,4-dioxan-2-yl]-3-oxo-2-(2-pyridyl)propanenitrile (2R)-3-[(2S)-1,4-dioxan-2-yl]-3-…

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) -0.68 4.12 -10.76 0 5 0 72 232.239 3 ↓

Analogs

41480454
41480454
41480445
41480445
41480448
41480448

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(2R)-1,4-dioxan-2-yl]-3-oxo-2-(2-pyridyl)propanenitrile (2S)-3-[(2R)-1,4-dioxan-2-yl]-3-…

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) -0.68 4.07 -10.57 0 5 0 72 232.239 3 ↓

Analogs

41480445
41480445
41480448
41480448
41480451
41480451

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(2R)-1,4-dioxan-2-yl]-3-oxo-2-(2-pyridyl)propanenitrile (2R)-3-[(2R)-1,4-dioxan-2-yl]-3-…

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) -0.68 4.21 -11.17 0 5 0 72 232.239 3 ↓

Parameters Provided:

ring.id = 533277
filter.purchasability = annotated
page.format = targets
page.num = 1
iosrct = affiliate
iosrcn = axeso
iid = 191540506

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 = 533277 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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