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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoylmethyl]benzenecarbothioamide 2-[[(3R)-1,1-dioxothiolan-3-yl]s…

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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) 0.34 -1.25 -28.86 3 6 0 106 348.471 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoylmethyl]benzenecarbothioamide 2-[[(3S)-1,1-dioxothiolan-3-yl]s…

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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) 0.34 -0.56 -26.37 3 6 0 106 348.471 5 ↓

Analogs

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Popular Name: 1-(4-aminophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-methanesulfonamide 1-(4-aminophenyl)-N-[(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) -0.09 -0.25 -20.26 2 6 0 98 318.42 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-aminophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-methanesulfonamide 1-(4-aminophenyl)-N-[(3S)-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) -0.09 -0.26 -22.35 2 6 0 98 318.42 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-aminophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-methanesulfonamide 1-(3-aminophenyl)-N-[(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) -0.12 -0.26 -20.27 2 6 0 98 318.42 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-aminophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-methanesulfonamide 1-(3-aminophenyl)-N-[(3S)-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) -0.12 -0.27 -22.36 2 6 0 98 318.42 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(aminomethyl)phenyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-methanesulfonamide 1-[4-(aminomethyl)phenyl]-N-[(3R…

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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) 0.02 -0.09 -60.95 3 6 1 99 333.455 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(aminomethyl)phenyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-methanesulfonamide 1-[4-(aminomethyl)phenyl]-N-[(3S…

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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) 0.02 -0.1 -63.28 3 6 1 99 333.455 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(aminomethyl)phenyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-methanesulfonamide 1-[2-(aminomethyl)phenyl]-N-[(3R…

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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) -0.03 -0.05 -66.29 3 6 1 99 333.455 5 ↓
Hi High (pH 8-9.5) -0.03 -0.44 -19.78 2 6 0 98 332.447 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(aminomethyl)phenyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-methanesulfonamide 1-[2-(aminomethyl)phenyl]-N-[(3S…

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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) -0.03 -0.05 -69.77 3 6 1 99 333.455 5 ↓
Hi High (pH 8-9.5) -0.03 -0.45 -21.86 2 6 0 98 332.447 5 ↓

Analogs

6274638
6274638
6274644
6274644

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-1-phenyl-methanesulfonamide N-[(3R)-1,1-dioxothiolan-3-yl]-N…

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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) 0.83 1.87 -19.52 0 5 0 72 303.405 4 ↓

Analogs

6274638
6274638
6274644
6274644

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-1-phenyl-methanesulfonamide N-[(3S)-1,1-dioxothiolan-3-yl]-N…

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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) 0.83 1.86 -21.66 0 5 0 72 303.405 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(aminomethyl)phenyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-methanesulfonamide 1-[3-(aminomethyl)phenyl]-N-[(3R…

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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) -0.01 -0.1 -60.88 3 6 1 99 333.455 5 ↓
Hi High (pH 8-9.5) -0.01 -0.51 -19.99 2 6 0 98 332.447 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(aminomethyl)phenyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-methanesulfonamide 1-[3-(aminomethyl)phenyl]-N-[(3S…

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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) -0.01 -0.11 -62.62 3 6 1 99 333.455 5 ↓
Hi High (pH 8-9.5) -0.01 -0.51 -22.08 2 6 0 98 332.447 5 ↓

Parameters Provided:

ring.id = 55078
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 = 55078 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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