UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(3S)-3-hydroxy-1-piperidyl]sulfonyl]chromen-2-one 6-[[(3S)-3-hydroxy-1-piperidyl]s…

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) 1.06 2.61 -15.33 1 6 0 88 309.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(3R)-3-hydroxy-1-piperidyl]sulfonyl]chromen-2-one 6-[[(3R)-3-hydroxy-1-piperidyl]s…

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) 1.06 2.64 -15.35 1 6 0 88 309.343 2 ↓

Analogs

36636323
36636323

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 2.31 7.48 -16.42 0 7 0 94 365.407 5 ↓

Analogs

36636321
36636321

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 2.31 7.52 -15.73 0 7 0 94 365.407 5 ↓

Analogs

41095074
41095074
41096676
41096676
41096679
41096679
44265375
44265375
25675458
25675458

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(4-amino-1-piperidyl)sulfonyl]chromen-2-one 6-[(4-amino-1-piperidyl)sulfonyl…

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) 0.57 3.22 -60.91 3 6 1 95 309.367 2 ↓

Analogs

25522918
25522918
25522923
25522923

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-ethyl-1-(2-oxochromen-6-yl)sulfonyl-piperidine-3-carboxamide (3R)-N-ethyl-1-(2-oxochromen-6-y…

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) 1.56 4.95 -18.77 1 7 0 97 364.423 4 ↓

Analogs

25522918
25522918
25522923
25522923

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-ethyl-1-(2-oxochromen-6-yl)sulfonyl-piperidine-3-carboxamide (3S)-N-ethyl-1-(2-oxochromen-6-y…

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) 1.56 4.98 -17.57 1 7 0 97 364.423 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-oxochromen-6-yl)sulfonylpiperidine-4-carbonitrile 1-(2-oxochromen-6-yl)sulfonylpip…

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) 1.86 6.27 -21.06 0 6 0 91 318.354 2 ↓

Parameters Provided:

ring.id = 18760
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 = 18760 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=18760&filter.purchasability=annotated

Embed Link to Results