UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11842709
11842709

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Popular Name: N-methyl-3-[(3R)-1-(3-methylbut-2-enoyl)-3-piperidyl]-N-(1-methyl-4-piperidyl)propanamide N-methyl-3-[(3R)-1-(3-methylbut-…

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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) 2.42 1.3 -42.56 1 5 1 45 350.527 5 ↓

Analogs

11842708
11842708

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Popular Name: N-methyl-3-[(3S)-1-(3-methylbut-2-enoyl)-3-piperidyl]-N-(1-methyl-4-piperidyl)propanamide N-methyl-3-[(3S)-1-(3-methylbut-…

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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) 2.42 1.3 -42.39 1 5 1 45 350.527 5 ↓

Analogs

12028525
12028525
36757095
36757095
36757136
36757136
36757137
36757137
36757439
36757439

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Popular Name: 3-[(3S)-1-(2,2-dimethylpropyl)-3-piperidyl]-N-methyl-N-(1-methyl-4-piperidyl)propanamide 3-[(3S)-1-(2,2-dimethylpropyl)-3…

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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) 3.13 2.02 -81.21 2 4 2 29 339.568 6 ↓

Analogs

36757095
36757095
36757136
36757136
36757137
36757137
36757439
36757439
36757440
36757440

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Popular Name: 3-[(3R)-1-(2,2-dimethylpropyl)-3-piperidyl]-N-methyl-N-(1-methyl-4-piperidyl)propanamide 3-[(3R)-1-(2,2-dimethylpropyl)-3…

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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) 3.13 2.71 -79.53 2 4 2 29 339.568 6 ↓

Analogs

43588313
43588313
43588314
43588314
43588957
43588957
43588958
43588958
43589072
43589072

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Popular Name: N-methyl-N-(1-methyl-4-piperidyl)-3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-methyl-N-(1-methyl-4-piperidyl…

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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 7.18 -84.3 3 4 2 41 269.433 4 ↓

Analogs

43588313
43588313
43588314
43588314
43588957
43588957
43588958
43588958
43589072
43589072

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-(1-methyl-4-piperidyl)-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-methyl-N-(1-methyl-4-piperidyl…

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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 7.17 -84.3 3 4 2 41 269.433 4 ↓

Analogs

43588313
43588313
43588314
43588314
43588957
43588957
43588958
43588958
43589072
43589072

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-methyl-4-piperidyl)-3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(1-methyl-4-piperidyl)-3-[(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) 0.59 5.38 -84.27 4 4 2 50 255.406 4 ↓

Analogs

43588313
43588313
43588314
43588314
43588957
43588957
43588958
43588958
43589072
43589072

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-methyl-4-piperidyl)-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(1-methyl-4-piperidyl)-3-[(3R)…

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) 0.59 5.38 -84.28 4 4 2 50 255.406 4 ↓

Parameters Provided:

ring.id = 60120
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 = 60120 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=60120&filter.purchasability=annotated

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