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

Analogs

36160030
36160030
36160032
36160032
36160035
36160035

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentyl]methanamine [(1R,2R)-2-(1,1-dioxo-1,4-thiazi…

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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) -0.33 -0.33 -58.04 3 4 1 65 233.357 2 ↓
Lo Low (pH 4.5-6) -0.33 1.09 -134.43 4 4 2 66 234.365 2 ↓

Analogs

36160032
36160032
36160035
36160035
36160026
36160026

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentyl]methanamine [(1S,2R)-2-(1,1-dioxo-1,4-thiazi…

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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) -0.33 -1.22 -54.76 3 4 1 65 233.357 2 ↓
Lo Low (pH 4.5-6) -0.33 1.01 -130.23 4 4 2 66 234.365 2 ↓

Analogs

36160035
36160035
36160026
36160026
36160030
36160030

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentyl]methanamine [(1R,2S)-2-(1,1-dioxo-1,4-thiazi…

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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) -0.33 -1.03 -57.77 3 4 1 65 233.357 2 ↓
Lo Low (pH 4.5-6) -0.33 0.96 -133 4 4 2 66 234.365 2 ↓

Analogs

36160026
36160026
36160030
36160030
36160032
36160032

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentyl]methanamine [(1S,2S)-2-(1,1-dioxo-1,4-thiazi…

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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) -0.33 -0.32 -58.02 3 4 1 65 233.357 2 ↓
Lo Low (pH 4.5-6) -0.33 0.94 -135.01 4 4 2 66 234.365 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentyl]methanamine [1-(1,1-dioxo-1,4-thiazinan-4-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) -0.12 -0.75 -60.06 3 4 1 65 233.357 2 ↓

Analogs

36161367
36161367
36161370
36161370
36161374
36161374

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentanecarbonitrile (1S,2R)-2-(1,1-dioxo-1,4-thiazin…

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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) 0.65 1.5 -14.63 0 4 0 61 228.317 1 ↓
Lo Low (pH 4.5-6) 0.65 3.2 -52.91 1 4 1 62 229.325 1 ↓

Analogs

36161370
36161370
36161374
36161374
36161363
36161363

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentanecarbonitrile (1R,2R)-2-(1,1-dioxo-1,4-thiazin…

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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) 0.65 1.22 -14.85 0 4 0 61 228.317 1 ↓
Lo Low (pH 4.5-6) 0.65 3.45 -62.75 1 4 1 62 229.325 1 ↓

Analogs

36161374
36161374
36161363
36161363
36161367
36161367

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentanecarbonitrile (1S,2S)-2-(1,1-dioxo-1,4-thiazin…

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) 0.65 1.42 -15.05 0 4 0 61 228.317 1 ↓
Lo Low (pH 4.5-6) 0.65 3.45 -62.76 1 4 1 62 229.325 1 ↓

Analogs

36161363
36161363
36161367
36161367
36161370
36161370

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentanecarbonitrile (1R,2S)-2-(1,1-dioxo-1,4-thiazin…

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) 0.65 1.71 -15.18 0 4 0 61 228.317 1 ↓
Lo Low (pH 4.5-6) 0.65 3.4 -56.29 1 4 1 62 229.325 1 ↓

Parameters Provided:

ring.id = 77786
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 = 77786 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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