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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37825962
37825962
37825963
37825963
37826010
37826010
37826011
37826011
37826070
37826070

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1S)-1-(1-methyl-4-piperidyl)ethyl]amino]azepan-2-one (3R)-3-[[(1S)-1-(1-methyl-4-pipe…

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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) 1.23 5.3 -100.7 4 4 2 50 255.406 3 ↓
Hi High (pH 8-9.5) 1.23 5.14 -41.99 3 4 1 46 254.398 3 ↓

Analogs

37825962
37825962
37825963
37825963
37826010
37826010
37826011
37826011
37826070
37826070

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1R)-1-(1-methyl-4-piperidyl)ethyl]amino]azepan-2-one (3R)-3-[[(1R)-1-(1-methyl-4-pipe…

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) 1.23 5.46 -100.4 4 4 2 50 255.406 3 ↓
Hi High (pH 8-9.5) 1.23 5.34 -42.32 3 4 1 46 254.398 3 ↓

Analogs

37825962
37825962
37825963
37825963
37826010
37826010
37826011
37826011
37826211
37826211

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(1S)-1-(1-methyl-4-piperidyl)ethyl]amino]azepan-2-one (3S)-3-[[(1S)-1-(1-methyl-4-pipe…

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) 1.23 5.49 -100.47 4 4 2 50 255.406 3 ↓
Hi High (pH 8-9.5) 1.23 5.17 -43.86 3 4 1 46 254.398 3 ↓

Analogs

37825962
37825962
37825963
37825963
37826010
37826010
37826011
37826011
37826211
37826211

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(1R)-1-(1-methyl-4-piperidyl)ethyl]amino]azepan-2-one (3S)-3-[[(1R)-1-(1-methyl-4-pipe…

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) 1.23 5.32 -99.16 4 4 2 50 255.406 3 ↓
Hi High (pH 8-9.5) 1.23 5.17 -40.83 3 4 1 46 254.398 3 ↓

Analogs

37825962
37825962
37825963
37825963
37826010
37826010
37826011
37826011
37826150
37826150

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1R)-1-(1-ethyl-4-piperidyl)ethyl]amino]azepan-2-one (3R)-3-[[(1R)-1-(1-ethyl-4-piper…

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) 1.61 6.19 -101.92 4 4 2 50 269.433 4 ↓
Hi High (pH 8-9.5) 1.61 6.04 -42.5 3 4 1 46 268.425 4 ↓

Analogs

37825962
37825962
37825963
37825963
37826010
37826010
37826011
37826011
37826150
37826150

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1S)-1-(1-ethyl-4-piperidyl)ethyl]amino]azepan-2-one (3R)-3-[[(1S)-1-(1-ethyl-4-piper…

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) 1.61 5.96 -100.97 4 4 2 50 269.433 4 ↓
Hi High (pH 8-9.5) 1.61 5.79 -41.09 3 4 1 46 268.425 4 ↓

Analogs

37826150
37826150
37826151
37826151

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(1R)-1-(1-ethyl-4-piperidyl)ethyl]amino]azepan-2-one (3S)-3-[[(1R)-1-(1-ethyl-4-piper…

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) 1.61 5.98 -99.44 4 4 2 50 269.433 4 ↓
Hi High (pH 8-9.5) 1.61 5.82 -40.06 3 4 1 46 268.425 4 ↓

Analogs

37826150
37826150
37826151
37826151

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(1S)-1-(1-ethyl-4-piperidyl)ethyl]amino]azepan-2-one (3S)-3-[[(1S)-1-(1-ethyl-4-piper…

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) 1.61 6.14 -100.84 4 4 2 50 269.433 4 ↓
Hi High (pH 8-9.5) 1.61 5.81 -43.1 3 4 1 46 268.425 4 ↓

Analogs

44518341
44518341
44518342
44518342
44518703
44518703
44518704
44518704

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1R)-1-(1-propyl-4-piperidyl)ethyl]amino]azepan-2-one (3R)-3-[[(1R)-1-(1-propyl-4-pipe…

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) 2.11 6.86 -102.32 4 4 2 50 283.46 5 ↓
Hi High (pH 8-9.5) 2.11 6.74 -42.26 3 4 1 46 282.452 5 ↓

Analogs

44518341
44518341
44518342
44518342
44518703
44518703
44518704
44518704

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1S)-1-(1-propyl-4-piperidyl)ethyl]amino]azepan-2-one (3R)-3-[[(1S)-1-(1-propyl-4-pipe…

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) 2.11 6.8 -100.73 4 4 2 50 283.46 5 ↓
Hi High (pH 8-9.5) 2.11 6.46 -39.8 3 4 1 46 282.452 5 ↓

Analogs

44518341
44518341
44518342
44518342
44518703
44518703
44518704
44518704

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(1R)-1-(1-propyl-4-piperidyl)ethyl]amino]azepan-2-one (3S)-3-[[(1R)-1-(1-propyl-4-pipe…

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) 2.11 6.72 -100.95 4 4 2 50 283.46 5 ↓
Hi High (pH 8-9.5) 2.11 6.57 -40.64 3 4 1 46 282.452 5 ↓

Analogs

37825962
37825962
37825963
37825963
37826010
37826010
37826011
37826011
37826070
37826070

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(1S)-1-(1-propyl-4-piperidyl)ethyl]amino]azepan-2-one (3S)-3-[[(1S)-1-(1-propyl-4-pipe…

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) 2.11 6.88 -102.41 4 4 2 50 283.46 5 ↓
Hi High (pH 8-9.5) 2.11 6.56 -43.88 3 4 1 46 282.452 5 ↓

Parameters Provided:

ring.id = 129135
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 = 129135 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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