UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(2-morpholinoethyl)-1-(1-propyl-4-piperidyl)ethanamine (1R)-N-(2-morpholinoethyl)-1-(1-…

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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) 1.99 5.68 -100.32 3 4 2 34 285.476 7 ↓
Hi High (pH 8-9.5) 1.99 4.68 -33.35 2 4 1 29 284.468 7 ↓
Lo Low (pH 4.5-6) 1.99 7.95 -192.14 4 4 3 35 286.484 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(2-morpholinoethyl)-1-(1-propyl-4-piperidyl)ethanamine (1S)-N-(2-morpholinoethyl)-1-(1-…

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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) 1.99 5.59 -99.93 3 4 2 34 285.476 7 ↓
Hi High (pH 8-9.5) 1.99 4.54 -34.68 2 4 1 29 284.468 7 ↓
Lo Low (pH 4.5-6) 1.99 7.85 -191.38 4 4 3 35 286.484 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(1-ethyl-4-piperidyl)-N-(2-morpholinoethyl)ethanamine (1R)-1-(1-ethyl-4-piperidyl)-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) 1.48 4.93 -98.83 3 4 2 34 271.449 6 ↓
Hi High (pH 8-9.5) 1.48 3.94 -32.7 2 4 1 29 270.441 6 ↓
Lo Low (pH 4.5-6) 1.48 7.21 -190.38 4 4 3 35 272.457 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(1-ethyl-4-piperidyl)-N-(2-morpholinoethyl)ethanamine (1S)-1-(1-ethyl-4-piperidyl)-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) 1.48 4.84 -98.52 3 4 2 34 271.449 6 ↓
Hi High (pH 8-9.5) 1.48 3.81 -33.99 2 4 1 29 270.441 6 ↓
Lo Low (pH 4.5-6) 1.48 7.11 -189.55 4 4 3 35 272.457 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(1-methyl-4-piperidyl)-N-(2-morpholinoethyl)ethanamine (1S)-1-(1-methyl-4-piperidyl)-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) 1.11 4.2 -98.25 3 4 2 34 257.422 5 ↓
Hi High (pH 8-9.5) 1.11 3.16 -35.05 2 4 1 29 256.414 5 ↓
Lo Low (pH 4.5-6) 1.11 6.46 -188.6 4 4 3 35 258.43 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(1-methyl-4-piperidyl)-N-(2-morpholinoethyl)ethanamine (1R)-1-(1-methyl-4-piperidyl)-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) 1.11 4.28 -98.57 3 4 2 34 257.422 5 ↓
Hi High (pH 8-9.5) 1.11 3.29 -33.8 2 4 1 29 256.414 5 ↓
Lo Low (pH 4.5-6) 1.11 6.54 -189.49 4 4 3 35 258.43 5 ↓

Analogs

44690611
44690611
44690613
44690613
44690614
44690614
44690616
44690616

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1-ethyl-4-piperidyl)ethyl]-2-methyl-2-morpholino-propan-1-amine N-[(1R)-1-(1-ethyl-4-piperidyl)e…

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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) 2.29 6.35 -96.96 3 4 2 34 299.503 6 ↓
Lo Low (pH 4.5-6) 2.29 8.34 -190.71 4 4 3 35 300.511 6 ↓

Analogs

44690611
44690611
44690613
44690613
44690614
44690614
44690616
44690616

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1-ethyl-4-piperidyl)ethyl]-2-methyl-2-morpholino-propan-1-amine N-[(1S)-1-(1-ethyl-4-piperidyl)e…

Find On: PubMed — Wikipedia — Google

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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) 2.29 6.38 -96.49 3 4 2 34 299.503 6 ↓
Lo Low (pH 4.5-6) 2.29 8.17 -191.36 4 4 3 35 300.511 6 ↓

Analogs

44690611
44690611
44690613
44690613
44690614
44690614
44690616
44690616

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1S)-1-(1-methyl-4-piperidyl)ethyl]-2-morpholino-propan-1-amine 2-methyl-N-[(1S)-1-(1-methyl-4-p…

Find On: PubMed — Wikipedia — Google

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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) 1.92 5.72 -96.29 3 4 2 34 285.476 5 ↓
Lo Low (pH 4.5-6) 1.92 7.52 -190.27 4 4 3 35 286.484 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1R)-1-(1-methyl-4-piperidyl)ethyl]-2-morpholino-propan-1-amine 2-methyl-N-[(1R)-1-(1-methyl-4-p…

Find On: PubMed — Wikipedia — Google

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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) 1.92 5.7 -96.79 3 4 2 34 285.476 5 ↓
Lo Low (pH 4.5-6) 1.92 7.69 -189.68 4 4 3 35 286.484 5 ↓

Parameters Provided:

ring.id = 34552
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 = 34552 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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