UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37804593
37804593
37804594
37804594
37804642
37804642
37804643
37804643
37813391
37813391

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Popular Name: (2S)-N-(1-ethyl-4-piperidyl)-N-methyl-piperidine-2-carboxamide (2S)-N-(1-ethyl-4-piperidyl)-N-m…

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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) 1.14 6.38 -93.34 3 4 2 41 255.406 3 ↓
Hi High (pH 8-9.5) 1.14 5.2 -40.09 2 4 1 37 254.398 3 ↓

Analogs

37804593
37804593
37804594
37804594
37813391
37813391
37813392
37813392
37814234
37814234

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Popular Name: (2R)-N-(1-ethyl-4-piperidyl)-N-methyl-piperidine-2-carboxamide (2R)-N-(1-ethyl-4-piperidyl)-N-m…

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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) 1.14 6.36 -82.57 3 4 2 41 255.406 3 ↓
Hi High (pH 8-9.5) 1.14 5.16 -39.25 2 4 1 37 254.398 3 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 2.17 8.24 -40.67 2 6 1 63 340.488 5 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 2.17 8.17 -39.13 2 6 1 63 340.488 5 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 2.04 9.32 -42.92 1 6 1 54 340.488 4 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 2.04 9.29 -42.65 1 6 1 54 340.488 4 ↓

Analogs

19473247
19473247
19473249
19473249
36135331
36135331

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Popular Name: (2S)-N-(2-hydroxyethyl)-N-(1-methyl-4-piperidyl)piperidine-2-carboxamide (2S)-N-(2-hydroxyethyl)-N-(1-met…

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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) 0.13 4.3 -95.5 4 5 2 62 271.405 4 ↓
Hi High (pH 8-9.5) 0.13 2.25 -44.54 3 5 1 57 270.397 4 ↓

Analogs

19473247
19473247
19473249
19473249
36135331
36135331

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-hydroxyethyl)-N-(1-methyl-4-piperidyl)piperidine-2-carboxamide (2R)-N-(2-hydroxyethyl)-N-(1-met…

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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) 0.13 4.39 -95.08 4 5 2 62 271.405 4 ↓
Hi High (pH 8-9.5) 0.13 3.11 -50.37 3 5 1 57 270.397 4 ↓

Analogs

35738386
35738386
35738385
35738385
20246673
20246673

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Popular Name: (2S)-N-(2-dimethylaminoethyl)-N-(1-methyl-4-piperidyl)piperidine-2-carboxamide (2S)-N-(2-dimethylaminoethyl)-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) 0.79 8.02 -168.19 4 5 3 46 299.483 5 ↓
Hi High (pH 8-9.5) 0.79 6.81 -94.36 3 5 2 41 298.475 5 ↓

Analogs

35738386
35738386
35738385
35738385
20246673
20246673

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-dimethylaminoethyl)-N-(1-methyl-4-piperidyl)piperidine-2-carboxamide (2R)-N-(2-dimethylaminoethyl)-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) 0.79 7.81 -165.99 4 5 3 46 299.483 5 ↓
Hi High (pH 8-9.5) 0.79 6.72 -93.63 3 5 2 41 298.475 5 ↓

Analogs

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Popular Name: (2S,6S)-6-methyl-N-(1-propyl-4-piperidyl)piperidine-2-carboxamide (2S,6S)-6-methyl-N-(1-propyl-4-p…

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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) 1.73 6.36 -83.57 4 4 2 50 269.433 4 ↓

Analogs

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Popular Name: (2R,6S)-6-methyl-N-(1-propyl-4-piperidyl)piperidine-2-carboxamide (2R,6S)-6-methyl-N-(1-propyl-4-p…

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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) 1.73 6.07 -84.99 4 4 2 50 269.433 4 ↓

Analogs

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Popular Name: (2S,6R)-6-methyl-N-(1-propyl-4-piperidyl)piperidine-2-carboxamide (2S,6R)-6-methyl-N-(1-propyl-4-p…

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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) 1.73 6.07 -84.99 4 4 2 50 269.433 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-6-methyl-N-(1-propyl-4-piperidyl)piperidine-2-carboxamide (2R,6R)-6-methyl-N-(1-propyl-4-p…

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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) 1.73 6.36 -83.72 4 4 2 50 269.433 4 ↓

Parameters Provided:

ring.id = 65457
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 = 65457 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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