UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36829079
36829079
36829078
36829078
36828960
36828960
36828959
36828959

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopentyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetamide 2-[cyclopentyl-[(6-oxo-1H-pyridi…

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) -0.02 -1.01 -21.59 3 7 0 113 299.352 5 ↓
Hi High (pH 8-9.5) 0.43 -3.07 -51.01 2 7 -1 116 298.344 5 ↓

Analogs

36828989
36828989
36828988
36828988
36828718
36828718
36828717
36828717
36828922
36828922

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-N-cyclopentyl-6-oxo-1H-pyridine-3-sulfonamide N-allyl-N-cyclopentyl-6-oxo-1H-p…

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) 1.89 3.22 -12.76 1 5 0 70 282.365 5 ↓
Hi High (pH 8-9.5) 2.35 1.19 -45.6 0 5 -1 73 281.357 5 ↓

Analogs

36828922
36828922
36828921
36828921
36828920
36828920
36828889
36828889
36828718
36828718

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-sulfonamide N-cyclopentyl-N-(2-hydroxyethyl)…

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) 0.61 -0.04 -14.17 2 6 0 90 286.353 5 ↓

Analogs

36828988
36828988
36828989
36828989
36828718
36828718
36828717
36828717
36828922
36828922

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-N-(2-dimethylaminoethyl)-6-oxo-1H-pyridine-3-sulfonamide N-cyclopentyl-N-(2-dimethylamino…

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) 1.27 3.72 -51.55 2 6 1 75 314.431 6 ↓
Hi High (pH 8-9.5) 1.27 1.26 -11.64 1 6 0 73 313.423 6 ↓

Parameters Provided:

ring.id = 582636
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 = 582636 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=582636&filter.purchasability=annotated

Embed Link to Results