UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25500818
25500818
25500822
25500822

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-2,6-diphenylpiperidin-4-one 1-methyl-2,6-diphenylpiperidin-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) 3.08 8.62 -5.67 0 2 0 20 265.356 2 ↓

Analogs

25500818
25500818
25500822
25500822

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-2,6-diphenylpiperidin-4-one 1-methyl-2,6-diphenylpiperidin-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) 3.08 8.6 -5.65 0 2 0 20 265.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-A24565869-001-01-9 BRD-A24565869-001-01-9

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) 3.99 8.94 -8.72 1 4 0 36 365.521 4 ↓
Mid Mid (pH 6-8) 3.99 9.62 -21.52 2 4 0 37 366.529 4 ↓

Analogs

12436924
12436924
12436925
12436925

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,6S)-2,6-diphenyl-3-propyl-piperidin-4-one (2R,3R,6S)-2,6-diphenyl-3-propyl…

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) 3.47 9.75 -6.03 1 2 0 29 293.41 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,6S)-2,6-diphenyl-3-propyl-piperidin-4-one (2R,3S,6S)-2,6-diphenyl-3-propyl…

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) 3.47 9.91 -5.37 1 2 0 29 293.41 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,6S)-2,6-diphenyl-3-propyl-piperidin-4-one (2S,3R,6S)-2,6-diphenyl-3-propyl…

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) 3.47 9.64 -6.72 1 2 0 29 293.41 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,6S)-2,6-diphenyl-3-propyl-piperidin-4-one (2S,3S,6S)-2,6-diphenyl-3-propyl…

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) 3.47 9.24 -6.14 1 2 0 29 293.41 4 ↓

Analogs

4427888
4427888
4427891
4427891
4427894
4427894

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-3-pentyl-2,6-diphenylpiperidin-4-one 1-methyl-3-pentyl-2,6-diphenylpi…

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) 5.63 12.61 -4.45 0 2 0 20 335.491 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-3-pentyl-2,6-diphenylpiperidin-4-one 1-methyl-3-pentyl-2,6-diphenylpi…

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) 5.63 12.59 -3.61 0 2 0 20 335.491 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-3-pentyl-2,6-diphenylpiperidin-4-one 1-methyl-3-pentyl-2,6-diphenylpi…

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) 5.63 11.98 -5.5 0 2 0 20 335.491 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-3-pentyl-2,6-diphenylpiperidin-4-one 1-methyl-3-pentyl-2,6-diphenylpi…

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) 5.63 11.66 -4.62 0 2 0 20 335.491 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methyl-piperidin-4-one (2R,3R,6S)-2,6-bis(4-methoxyphen…

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) 2.52 6.94 -9.11 1 4 0 48 325.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,6S)-2,6-bis(4-methoxyphenyl)-3-methyl-piperidin-4-one (2R,3S,6S)-2,6-bis(4-methoxyphen…

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) 2.52 7.03 -8.91 1 4 0 48 325.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methyl-piperidin-4-one (2S,3R,6S)-2,6-bis(4-methoxyphen…

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) 2.52 6.79 -9.37 1 4 0 48 325.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,6S)-2,6-bis(4-methoxyphenyl)-3-methyl-piperidin-4-one (2S,3S,6S)-2,6-bis(4-methoxyphen…

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) 2.52 6.36 -10.01 1 4 0 48 325.408 4 ↓

Analogs

6493235
6493235
6493239
6493239
15658872
15658872

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,5R,6R)-2,6-bis(3,4-dimethoxyphenyl)-3,5-dimethyl-piperidin-4-one (2S,3S,5R,6R)-2,6-bis(3,4-dimeth…

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) 3.08 6.96 -14.59 1 6 0 66 399.487 6 ↓

Analogs

15658872
15658872
15658875
15658875

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,5S,6S)-2,6-bis(3,4-dimethoxyphenyl)-3,5-dimethyl-piperidin-4-one (2S,3S,5S,6S)-2,6-bis(3,4-dimeth…

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) 3.08 6.52 -14.61 1 6 0 66 399.487 6 ↓

Analogs

15659080
15659080
15659082
15659082
15659084
15659084

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,6S)-1-methyl-2,6-diphenyl-3-propyl-piperidin-4-one (2R,3R,6S)-1-methyl-2,6-diphenyl…

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) 4.62 11.06 -4.49 0 2 0 20 307.437 4 ↓

Analogs

15659080
15659080
15659082
15659082
15659084
15659084

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,6S)-1-methyl-2,6-diphenyl-3-propyl-piperidin-4-one (2R,3S,6S)-1-methyl-2,6-diphenyl…

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) 4.62 11.03 -3.7 0 2 0 20 307.437 4 ↓

Analogs

15659080
15659080
15659082
15659082
15659084
15659084

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,6S)-1-methyl-2,6-diphenyl-3-propyl-piperidin-4-one (2S,3R,6S)-1-methyl-2,6-diphenyl…

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) 4.62 10.43 -5.45 0 2 0 20 307.437 4 ↓

Analogs

15659080
15659080
15659082
15659082
15659084
15659084

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,6S)-1-methyl-2,6-diphenyl-3-propyl-piperidin-4-one (2S,3S,6S)-1-methyl-2,6-diphenyl…

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) 4.62 10.1 -4.7 0 2 0 20 307.437 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,5S,6S)-2,6-bis(2,4-dimethoxyphenyl)-3,5-dimethyl-piperidin-4-one (2S,3S,5S,6S)-2,6-bis(2,4-dimeth…

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) 3.87 5.61 -11.25 1 6 0 66 399.487 6 ↓

Parameters Provided:

ring.id = 66895
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 = 66895 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=66895&filter.purchasability=annotated

Embed Link to Results