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

Analogs

14244123
14244123
14244124
14244124
14244125
14244125

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-[[(3R)-1,1-dioxothiolan-3-yl]-ethyl-amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[[(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) 1.93 7.29 -21.78 0 9 0 120 448.497 8 ↓

Analogs

14244124
14244124
14244125
14244125
14244122
14244122

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[[(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) 1.93 7.28 -22.44 0 9 0 120 448.497 8 ↓

Analogs

14244125
14244125
14244122
14244122
14244123
14244123

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-[[(3R)-1,1-dioxothiolan-3-yl]-ethyl-amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[[(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) 1.93 7.16 -20.87 0 9 0 120 448.497 8 ↓

Analogs

14244122
14244122
14244123
14244123
14244124
14244124

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[[(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) 1.93 7.16 -22.53 0 9 0 120 448.497 8 ↓

Analogs

14244225
14244225
14244226
14244226
14244227
14244227
14244541
14244541
14244542
14244542

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-[[(3R)-1,1-dioxothiolan-3-yl]-ethyl-amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[[(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) 2.72 8.15 -20.71 0 9 0 120 464.54 9 ↓

Analogs

14244226
14244226
14244227
14244227
14244541
14244541
14244542
14244542
14244543
14244543

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-[[(3R)-1,1-dioxothiolan-3-yl]-ethyl-amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[[(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) 2.72 8.27 -21.62 0 9 0 120 464.54 9 ↓

Analogs

14244227
14244227
14244541
14244541
14244542
14244542
14244543
14244543
14244544
14244544

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[[(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) 2.72 8.15 -22.37 0 9 0 120 464.54 9 ↓

Analogs

14244541
14244541
14244542
14244542
14244543
14244543
14244544
14244544
14244224
14244224

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[[(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) 2.72 8.26 -22.24 0 9 0 120 464.54 9 ↓

Analogs

14244542
14244542
14244543
14244543
14244544
14244544
14244224
14244224
14244225
14244225

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-[[(3R)-1,1-dioxothiolan-3-yl]-ethyl-amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[[(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) 2.93 8.76 -21.5 0 9 0 120 478.567 9 ↓

Analogs

14244543
14244543
14244544
14244544
14244224
14244224
14244225
14244225
14244226
14244226

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[[(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) 2.93 8.75 -22.16 0 9 0 120 478.567 9 ↓

Analogs

14244544
14244544
14244224
14244224
14244225
14244225
14244226
14244226

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-[[(3R)-1,1-dioxothiolan-3-yl]-ethyl-amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[[(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) 2.93 8.7 -22.17 0 9 0 120 478.567 9 ↓

Analogs

14244224
14244224
14244225
14244225
14244226
14244226

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[[(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) 2.93 8.64 -22.22 0 9 0 120 478.567 9 ↓

Parameters Provided:

ring.id = 237654
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 = 237654 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=237654&filter.purchasability=annotated

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