UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5S)-3-[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]-5-(2-methylsulfanylethyl)-2-thioxo-imidazolidin-4-one (5S)-3-[(1R)-1-(2,5-dimethyl-3-f…

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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) 1.85 8.1 -13.26 1 4 0 45 312.46 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]-5-(2-methylsulfanylethyl)-2-thioxo-imidazolidin-4-one (5S)-3-[(1S)-1-(2,5-dimethyl-3-f…

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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) 1.85 8.18 -13.29 1 4 0 45 312.46 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]-5-(2-methylsulfanylethyl)-2-thioxo-imidazolidin-4-one (5R)-3-[(1R)-1-(2,5-dimethyl-3-f…

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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) 1.85 8.1 -13.35 1 4 0 45 312.46 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]-5-(2-methylsulfanylethyl)-2-thioxo-imidazolidin-4-one (5R)-3-[(1S)-1-(2,5-dimethyl-3-f…

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) 1.85 8.18 -13.2 1 4 0 45 312.46 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]-5-methyl-2-thioxo-imidazolidin-4-one (5S)-3-[(1R)-1-(2,5-dimethyl-3-f…

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) 1.39 6.07 -12.57 1 4 0 45 252.339 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]-5-methyl-2-thioxo-imidazolidin-4-one (5S)-3-[(1S)-1-(2,5-dimethyl-3-f…

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) 1.39 6.15 -12.64 1 4 0 45 252.339 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]-5-methyl-2-thioxo-imidazolidin-4-one (5R)-3-[(1R)-1-(2,5-dimethyl-3-f…

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) 1.39 6.07 -12.65 1 4 0 45 252.339 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]-5-methyl-2-thioxo-imidazolidin-4-one (5R)-3-[(1S)-1-(2,5-dimethyl-3-f…

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) 1.39 6.15 -12.47 1 4 0 45 252.339 2 ↓

Parameters Provided:

ring.id = 561461
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 = 561461 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=561461&filter.purchasability=annotated

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