UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36538687
36538687
36592750
36592750
36592751
36592751

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(tert-butylamino)-2-oxo-ethyl]-N-methyl-pyridine-3-carboxamide N-[(1R)-1-(1,3-benzodioxol-5-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) 1.43 6.02 -16.84 1 7 0 81 369.421 5 ↓

Analogs

36592750
36592750
36592751
36592751
36538686
36538686

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1,3-benzodioxol-5-yl)-2-(tert-butylamino)-2-oxo-ethyl]-N-methyl-pyridine-3-carboxamide N-[(1S)-1-(1,3-benzodioxol-5-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) 1.43 5.32 -13.39 1 7 0 81 369.421 5 ↓

Analogs

36538693
36538693
36592756
36592756
36592757
36592757

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-N-methyl-pyridine-3-c N-[(1R)-1-(1,3-benzodioxol-5-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) 3.03 8.9 -16.1 1 7 0 81 425.529 7 ↓

Analogs

36592756
36592756
36592757
36592757
36538692
36538692

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1,3-benzodioxol-5-yl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-N-methyl-pyridine-3-c N-[(1S)-1-(1,3-benzodioxol-5-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) 3.03 8.5 -12.88 1 7 0 81 425.529 7 ↓

Analogs

36538695
36538695
36592758
36592758
36592759
36592759

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(butylamino)-2-oxo-ethyl]-N-methyl-pyridine-3-carboxamide N-[(1R)-1-(1,3-benzodioxol-5-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) 1.68 6.39 -17.8 1 7 0 81 369.421 7 ↓

Analogs

36592758
36592758
36592759
36592759
36538694
36538694

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1,3-benzodioxol-5-yl)-2-(butylamino)-2-oxo-ethyl]-N-methyl-pyridine-3-carboxamide N-[(1S)-1-(1,3-benzodioxol-5-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) 1.68 5.55 -13.96 1 7 0 81 369.421 7 ↓

Analogs

7272627
7272627

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-5,6-dichloro-N-methyl-pyridine-3-carboxamide N-(1,3-benzodioxol-5-ylmethyl)-5…

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) 2.58 6.14 -13.44 0 5 0 52 339.178 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-pyridine-3-carboxamide 6-amino-N-(1,3-benzodioxol-5-ylm…

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) 1.61 2.8 -10.6 3 6 0 86 305.721 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-6-fluoro-pyridine-3-carboxamide N-(1,3-benzodioxol-5-ylmethyl)-N…

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) 1.84 6.09 -15.63 0 5 0 52 302.305 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-6-fluoro-pyridine-3-carboxamide N-[(1S)-1-(1,3-benzodioxol-5-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) 2.25 4.3 -11.31 1 5 0 60 288.278 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-6-fluoro-pyridine-3-carboxamide N-[(1R)-1-(1,3-benzodioxol-5-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) 2.25 4.29 -11.29 1 5 0 60 288.278 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-N-ethyl-pyridine-3-carboxamide N-(1,3-benzodioxol-5-ylmethyl)-6…

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) 2.35 6.56 -15.1 0 5 0 52 318.76 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(isopropylamino)pyridine-3-carboxamide N-(1,3-benzodioxol-5-ylmethyl)-6…

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) 2.06 4.63 -10.48 2 6 0 72 313.357 5 ↓

Analogs

4381344
4381344
3045927
3045927

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-pentylsulfanyl-pyridine-3-carboxamide N-(1,3-benzodioxol-5-ylmethyl)-2…

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) 4.01 7.89 -12.4 1 5 0 60 358.463 8 ↓

Analogs

40494361
40494361
40496184
40496184

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethoxy-pyridine-3-carboxamide N-(1,3-benzodioxol-5-ylmethyl)-2…

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) 1.93 2.02 -13.31 1 7 0 79 316.313 5 ↓

Parameters Provided:

ring.id = 35186
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 = 35186 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=35186&filter.purchasability=annotated

Embed Link to Results