UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl-4-((pyridin-2-ylmethyl)carbamoyl)piperidine-1-carboxylate tert-butyl-4-((pyridin-2-ylmethy…

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) 1.49 5.71 -12.61 1 6 0 72 319.405 5 ↓
Lo Low (pH 4.5-6) 1.49 6.12 -43 2 6 1 73 320.413 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(dimethylsulfamoyl)-N-(2-pyridylmethyl)piperidine-4-carboxamide 1-(dimethylsulfamoyl)-N-(2-pyrid…

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) -0.17 1.84 -14.51 1 7 0 83 326.422 5 ↓
Lo Low (pH 4.5-6) -0.17 2.11 -46.19 2 7 1 84 327.43 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-(2-pyridylmethyl)piperidine-4-carboxamide 4-methyl-N-(2-pyridylmethyl)pipe…

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) 0.43 3.05 -42.23 3 4 1 59 234.323 3 ↓
Lo Low (pH 4.5-6) 0.43 3.46 -87.59 4 4 2 60 235.331 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1S)-1-(2-pyridyl)ethyl]piperidine-4-carboxamide 4-methyl-N-[(1S)-1-(2-pyridyl)et…

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) 0.99 4.14 -39.19 3 4 1 59 248.35 3 ↓
Lo Low (pH 4.5-6) 0.99 4.33 -84.38 4 4 2 60 249.358 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1R)-1-(2-pyridyl)ethyl]piperidine-4-carboxamide 4-methyl-N-[(1R)-1-(2-pyridyl)et…

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) 0.99 4.14 -39.18 3 4 1 59 248.35 3 ↓
Lo Low (pH 4.5-6) 0.99 4.33 -84.35 4 4 2 60 249.358 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,4-dimethyl-N-(2-pyridylmethyl)piperidine-4-carboxamide N,4-dimethyl-N-(2-pyridylmethyl)…

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) 0.34 4.62 -45.29 2 4 1 50 248.35 3 ↓
Lo Low (pH 4.5-6) 0.34 5.04 -83.58 3 4 2 51 249.358 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-4-methyl-N-(2-pyridylmethyl)piperidine-4-carboxamide N-isopropyl-4-methyl-N-(2-pyridy…

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) 1.02 6.22 -44.34 2 4 1 50 276.404 4 ↓
Lo Low (pH 4.5-6) 1.02 6.23 -102.78 3 4 2 51 277.412 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-4-methyl-N-(2-pyridylmethyl)piperidine-4-carboxamide N-(2-methoxyethyl)-4-methyl-N-(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) 0.33 4.55 -45.82 2 5 1 59 292.403 6 ↓
Lo Low (pH 4.5-6) 0.33 4.97 -82.04 3 5 2 60 293.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(6-methyl-2-pyridyl)methyl]piperidine-4-carboxamide 4-methyl-N-[(6-methyl-2-pyridyl)…

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) 0.48 3.66 -42.37 3 4 1 59 248.35 3 ↓
Lo Low (pH 4.5-6) 0.48 4.04 -83.15 4 4 2 60 249.358 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-(2-pyridylmethyl)piperidine-4-carboxamide 4-ethyl-N-(2-pyridylmethyl)piper…

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) 0.76 3.54 -44.1 3 4 1 59 248.35 4 ↓
Lo Low (pH 4.5-6) 0.76 3.93 -90.17 4 4 2 60 249.358 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-propyl-N-(2-pyridylmethyl)piperidine-4-carboxamide 4-propyl-N-(2-pyridylmethyl)pipe…

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) 1.32 4.3 -44.38 3 4 1 59 262.377 5 ↓
Lo Low (pH 4.5-6) 1.32 4.7 -90.62 4 4 2 60 263.385 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-[(1S)-1-(2-pyridyl)ethyl]piperidine-4-carboxamide 4-ethyl-N-[(1S)-1-(2-pyridyl)eth…

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) 1.32 4.62 -39.79 3 4 1 59 262.377 4 ↓
Lo Low (pH 4.5-6) 1.32 4.79 -88.97 4 4 2 60 263.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-[(1R)-1-(2-pyridyl)ethyl]piperidine-4-carboxamide 4-ethyl-N-[(1R)-1-(2-pyridyl)eth…

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) 1.32 4.65 -40.53 3 4 1 59 262.377 4 ↓
Lo Low (pH 4.5-6) 1.32 4.81 -86.23 4 4 2 60 263.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-propyl-N-[(1S)-1-(2-pyridyl)ethyl]piperidine-4-carboxamide 4-propyl-N-[(1S)-1-(2-pyridyl)et…

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) 1.88 5.38 -40.02 3 4 1 59 276.404 5 ↓
Lo Low (pH 4.5-6) 1.88 5.56 -89.42 4 4 2 60 277.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-propyl-N-[(1R)-1-(2-pyridyl)ethyl]piperidine-4-carboxamide 4-propyl-N-[(1R)-1-(2-pyridyl)et…

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) 1.88 5.4 -40.78 3 4 1 59 276.404 5 ↓
Lo Low (pH 4.5-6) 1.88 5.57 -86.69 4 4 2 60 277.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-methyl-N-(2-pyridylmethyl)piperidine-4-carboxamide 4-ethyl-N-methyl-N-(2-pyridylmet…

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) 0.68 5.29 -40.48 2 4 1 50 262.377 4 ↓
Lo Low (pH 4.5-6) 0.68 5.7 -86.27 3 4 2 51 263.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-4-propyl-N-(2-pyridylmethyl)piperidine-4-carboxamide N-methyl-4-propyl-N-(2-pyridylme…

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) 1.24 6.04 -40.57 2 4 1 50 276.404 5 ↓
Lo Low (pH 4.5-6) 1.24 6.46 -86.8 3 4 2 51 277.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-isopropyl-N-(2-pyridylmethyl)piperidine-4-carboxamide 4-ethyl-N-isopropyl-N-(2-pyridyl…

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) 1.35 6.28 -40.9 2 4 1 50 290.431 5 ↓
Lo Low (pH 4.5-6) 1.35 6.95 -86.21 3 4 2 51 291.439 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-[(6-methyl-2-pyridyl)methyl]piperidine-4-carboxamide 4-ethyl-N-[(6-methyl-2-pyridyl)m…

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) 0.82 4.09 -40.74 3 4 1 59 262.377 4 ↓
Lo Low (pH 4.5-6) 0.82 4.46 -84.78 4 4 2 60 263.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6-methyl-2-pyridyl)methyl]-4-propyl-piperidine-4-carboxamide N-[(6-methyl-2-pyridyl)methyl]-4…

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) 1.38 4.85 -40.86 3 4 1 59 276.404 5 ↓
Lo Low (pH 4.5-6) 1.38 5.22 -85.29 4 4 2 60 277.412 5 ↓

Analogs

36778367
36778367
22241696
22241696
35775848
35775848

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-N-(2-pyridylmethyl)piperidine-4-carboxamide N-isopropyl-N-(2-pyridylmethyl)p…

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) 0.77 5.88 -51.56 2 4 1 50 262.377 4 ↓
Lo Low (pH 4.5-6) 0.77 6.57 -102.05 3 4 2 51 263.385 4 ↓

Analogs

4549445
4549445

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-N-(2-pyridylmethyl)piperidine-4-carboxamide N-(2-methoxyethyl)-N-(2-pyridylm…

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) 0.08 4.5 -53.07 2 5 1 59 278.376 6 ↓
Lo Low (pH 4.5-6) 0.08 5.36 -83.9 3 5 2 60 279.384 6 ↓

Parameters Provided:

ring.id = 81348
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 = 81348 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=81348&filter.purchasability=annotated

Embed Link to Results