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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-ethyl-3-piperidyl]methyl]cyclobutanamine N-[[(3S)-3-ethyl-3-piperidyl]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) 1.54 5.46 -96.09 4 2 2 33 198.354 4 ↓
Hi High (pH 8-9.5) 1.54 4.44 -36.31 3 2 1 29 197.346 4 ↓
Hi High (pH 8-9.5) 1.54 4.12 -35.08 3 2 1 29 197.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-ethyl-3-piperidyl]methyl]cyclobutanamine N-[[(3R)-3-ethyl-3-piperidyl]met…

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) 1.54 5.45 -102.78 4 2 2 33 198.354 4 ↓
Hi High (pH 8-9.5) 1.54 4.45 -37.68 3 2 1 29 197.346 4 ↓
Hi High (pH 8-9.5) 1.54 4.12 -35.23 3 2 1 29 197.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-methyl-3-piperidyl]methyl]cyclobutanamine N-[[(3S)-3-methyl-3-piperidyl]me…

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) 1.21 5.01 -96.14 4 2 2 33 184.327 3 ↓
Hi High (pH 8-9.5) 1.21 3.93 -36.01 3 2 1 29 183.319 3 ↓
Hi High (pH 8-9.5) 1.21 3.7 -35.08 3 2 1 29 183.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-methyl-3-piperidyl]methyl]cyclobutanamine N-[[(3R)-3-methyl-3-piperidyl]me…

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) 1.21 5.01 -96.11 4 2 2 33 184.327 3 ↓
Hi High (pH 8-9.5) 1.21 3.91 -36.18 3 2 1 29 183.319 3 ↓
Hi High (pH 8-9.5) 1.21 3.88 -34.59 3 2 1 29 183.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-propyl-3-piperidyl]methyl]cyclobutanamine N-[[(3S)-3-propyl-3-piperidyl]me…

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) 2.10 6.22 -98.13 4 2 2 33 212.381 5 ↓
Hi High (pH 8-9.5) 2.10 4.88 -35.86 3 2 1 29 211.373 5 ↓
Hi High (pH 8-9.5) 2.10 5.21 -36.94 3 2 1 29 211.373 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-propyl-3-piperidyl]methyl]cyclobutanamine N-[[(3R)-3-propyl-3-piperidyl]me…

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) 2.10 6.21 -104.51 4 2 2 33 212.381 5 ↓
Hi High (pH 8-9.5) 2.10 4.88 -35.61 3 2 1 29 211.373 5 ↓
Hi High (pH 8-9.5) 2.10 5.22 -37.85 3 2 1 29 211.373 5 ↓

Parameters Provided:

ring.id = 294893
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 = 294893 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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