UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-allyl-N-[(3S)-1,1-dioxothiolan-3-yl]cyclohexanecarboxamide N-allyl-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) 2.12 4.8 -16.52 0 4 0 54 285.409 4 ↓

Analogs

11639150
11639150
11639151
11639151

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Popular Name: 4-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-cyclohexanecarboxamide 4-butyl-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) 3.37 6.95 -15.72 0 4 0 54 329.506 6 ↓

Analogs

11639150
11639150
11639151
11639151

Draw Identity 99% 90% 80% 70%

Popular Name: 4-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-cyclohexanecarboxamide 4-butyl-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) 3.37 6.97 -16.25 0 4 0 54 329.506 6 ↓

Analogs

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Popular Name: (1R,2S)-N1-butyl-N2-[(3R)-1,1-dioxothiolan-3-yl]cyclohexane-1,2-dicarboxamide (1R,2S)-N1-butyl-N2-[(3R)-1,1-di…

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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) 1.64 3.38 -21.11 2 6 0 92 344.477 6 ↓

Analogs

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Popular Name: (1S,2S)-N1-butyl-N2-[(3R)-1,1-dioxothiolan-3-yl]cyclohexane-1,2-dicarboxamide (1S,2S)-N1-butyl-N2-[(3R)-1,1-di…

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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) 1.64 3.63 -19.49 2 6 0 92 344.477 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N1-butyl-N2-[(3R)-1,1-dioxothiolan-3-yl]cyclohexane-1,2-dicarboxamide (1R,2R)-N1-butyl-N2-[(3R)-1,1-di…

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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) 1.64 3.63 -20.72 2 6 0 92 344.477 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N1-butyl-N2-[(3R)-1,1-dioxothiolan-3-yl]cyclohexane-1,2-dicarboxamide (1S,2R)-N1-butyl-N2-[(3R)-1,1-di…

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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) 1.64 3.37 -20.63 2 6 0 92 344.477 6 ↓

Analogs

31830195
31830195
31830197
31830197
31830210
31830210

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Popular Name: 1-amino-N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-cyclohexanecarboxamide 1-amino-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) 0.73 1.55 -65.07 3 5 1 82 299.416 3 ↓
Mid Mid (pH 6-8) 0.73 1.29 -16.04 2 5 0 80 298.408 3 ↓

Analogs

31830195
31830195
31830197
31830197
31830210
31830210

Draw Identity 99% 90% 80% 70%

Popular Name: 1-amino-N-[(3S)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-cyclohexanecarboxamide 1-amino-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) 0.73 1.56 -60.56 3 5 1 82 299.416 3 ↓
Mid Mid (pH 6-8) 0.73 1.29 -14 2 5 0 80 298.408 3 ↓

Analogs

58504054
58504054
58504056
58504056

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Popular Name: 4-amino-N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-cyclohexanecarboxamide 4-amino-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) -0.48 1.88 -52.16 3 5 1 82 299.416 3 ↓

Analogs

58504054
58504054
58504056
58504056

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(3S)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-cyclohexanecarboxamide 4-amino-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) -0.48 2.04 -64.61 3 5 1 82 299.416 3 ↓

Parameters Provided:

ring.id = 205685
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 = 205685 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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