UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-4-carboxylic 2-[2-(2,5-dioxoimidazolidin-1-yl…

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) 0.36 3.28 -52.9 1 7 -1 102 280.285 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)ethylsulfanyl]pyridine-4-carboxylic 2-[2-(4,4-dimethyl-2,5-dioxo-imi…

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) 1.17 4.66 -50.93 1 7 -1 102 308.339 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(3-amino-2-pyridyl)sulfanyl]ethyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[2-[(3-amino-2-pyridyl)sulfany…

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) 0.74 2.05 -11.84 3 6 0 88 280.353 4 ↓
Lo Low (pH 4.5-6) 0.74 2.45 -32.31 4 6 1 90 281.361 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(3-amino-2-pyridyl)sulfanyl]ethyl]imidazolidine-2,4-dione 3-[2-[(3-amino-2-pyridyl)sulfany…

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) -0.07 0.67 -13.71 3 6 0 88 252.299 4 ↓
Lo Low (pH 4.5-6) -0.07 1.07 -34.12 4 6 1 90 253.307 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(5-amino-2-pyridyl)sulfanyl]ethyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[2-[(5-amino-2-pyridyl)sulfany…

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) 0.96 1.98 -11.94 3 6 0 88 280.353 4 ↓
Lo Low (pH 4.5-6) 0.96 2.38 -31.36 4 6 1 90 281.361 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(5-amino-2-pyridyl)sulfanyl]ethyl]imidazolidine-2,4-dione 3-[2-[(5-amino-2-pyridyl)sulfany…

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) 0.15 0.6 -13.73 3 6 0 88 252.299 4 ↓
Lo Low (pH 4.5-6) 0.15 1 -33.15 4 6 1 90 253.307 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]-4,6-dimethyl-pyridine-3-carboxylic 2-[2-(2,5-dioxoimidazolidin-1-yl…

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) 0.84 4.55 -62.96 1 7 -1 102 308.339 5 ↓

Analogs

45025741
45025741

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic 6-[2-(2,5-dioxoimidazolidin-1-yl…

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) 0.08 3.26 -52.55 1 7 -1 102 280.285 5 ↓

Analogs

45025742
45025742

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[2-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic 6-[2-(4,4-dimethyl-2,5-dioxo-imi…

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) 0.89 4.65 -50.71 1 7 -1 102 308.339 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(3-nitro-2-pyridyl)sulfanyl]ethyl]imidazolidine-2,4-dione 3-[2-[(3-nitro-2-pyridyl)sulfany…

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) 0.41 3.28 -16.67 1 8 0 108 282.281 5 ↓

Parameters Provided:

ring.id = 519909
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 = 519909 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=519909&filter.purchasability=annotated

Embed Link to Results