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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37802092
37802092
37802093
37802093
37802094
37802094
37802095
37802095
37803594
37803594

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-[(3R)-1,1-dioxothiolan-3-yl]-4-hydroxy-N-methyl-pyrrolidine-2-carboxamide (2S,4S)-N-[(3R)-1,1-dioxothiolan…

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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) -1.56 -2.89 -54.52 3 6 1 91 263.339 2 ↓

Analogs

37802092
37802092
37802093
37802093
37802094
37802094
37802095
37802095
37803594
37803594

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-[(3S)-1,1-dioxothiolan-3-yl]-4-hydroxy-N-methyl-pyrrolidine-2-carboxamide (2S,4S)-N-[(3S)-1,1-dioxothiolan…

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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) -1.56 -2.88 -54.5 3 6 1 91 263.339 2 ↓

Analogs

37802092
37802092
37802093
37802093
37802094
37802094
37802095
37802095
37803594
37803594

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-[(3R)-1,1-dioxothiolan-3-yl]-4-hydroxy-N-methyl-pyrrolidine-2-carboxamide (2R,4S)-N-[(3R)-1,1-dioxothiolan…

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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) -1.56 -2.8 -52.77 3 6 1 91 263.339 2 ↓

Analogs

37802092
37802092
37802093
37802093
37802094
37802094
37802095
37802095
37803594
37803594

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-[(3S)-1,1-dioxothiolan-3-yl]-4-hydroxy-N-methyl-pyrrolidine-2-carboxamide (2R,4S)-N-[(3S)-1,1-dioxothiolan…

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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) -1.56 -2.79 -51.48 3 6 1 91 263.339 2 ↓

Analogs

11754407
11754407
11754408
11754408

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-pyrrolidine-2-carboxamide (2S)-N-[(3R)-1,1-dioxothiolan-3-…

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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) -0.48 1.87 -54.45 2 5 1 71 271.362 3 ↓

Analogs

11754407
11754407
11754408
11754408

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-pyrrolidine-2-carboxamide (2S)-N-[(3S)-1,1-dioxothiolan-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) -0.48 1.87 -54.62 2 5 1 71 271.362 3 ↓

Analogs

11754407
11754407
11754408
11754408

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-pyrrolidine-2-carboxamide (2R)-N-[(3R)-1,1-dioxothiolan-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) -0.48 1.62 -51.22 2 5 1 71 271.362 3 ↓

Analogs

11754407
11754407
11754408
11754408

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-pyrrolidine-2-carboxamide (2R)-N-[(3S)-1,1-dioxothiolan-3-…

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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) -0.48 1.62 -49.18 2 5 1 71 271.362 3 ↓

Analogs

36870039
36870039
36870040
36870040
36870041
36870041
36870042
36870042
20434210
20434210

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-[(3R)-1,1-dioxothiolan-3-yl]-4-hydroxy-N-prop-2-ynyl-pyrrolidine-2-carboxamide (2S,4S)-N-[(3R)-1,1-dioxothiolan…

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) -1.40 -1.59 -53.17 3 6 1 91 287.361 3 ↓

Analogs

36870039
36870039
36870040
36870040
36870041
36870041
36870042
36870042
20434210
20434210

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-[(3S)-1,1-dioxothiolan-3-yl]-4-hydroxy-N-prop-2-ynyl-pyrrolidine-2-carboxamide (2S,4S)-N-[(3S)-1,1-dioxothiolan…

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) -1.40 -1.6 -52.3 3 6 1 91 287.361 3 ↓

Analogs

36870039
36870039
36870040
36870040
36870041
36870041
36870042
36870042
20434210
20434210

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-[(3R)-1,1-dioxothiolan-3-yl]-4-hydroxy-N-prop-2-ynyl-pyrrolidine-2-carboxamide (2R,4S)-N-[(3R)-1,1-dioxothiolan…

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) -1.40 -1.66 -54.54 3 6 1 91 287.361 3 ↓

Analogs

36870039
36870039
36870040
36870040
36870041
36870041
36870042
36870042
20434210
20434210

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-[(3S)-1,1-dioxothiolan-3-yl]-4-hydroxy-N-prop-2-ynyl-pyrrolidine-2-carboxamide (2R,4S)-N-[(3S)-1,1-dioxothiolan…

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) -1.40 -1.65 -52.19 3 6 1 91 287.361 3 ↓

Parameters Provided:

ring.id = 117664
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 = 117664 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=117664&filter.purchasability=annotated

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