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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[3-(1-piperidyl)propyl]thiochroman-4-amine (4R)-N-[3-(1-piperidyl)propyl]th…

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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) 2.50 9.74 -37.24 2 2 1 16 291.484 5 ↓
Mid Mid (pH 6-8) 2.50 8.07 -47.76 2 2 1 20 291.484 5 ↓

Analogs

45663149
45663149
45663151
45663151
45665170
45665170

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[3-(1-piperidyl)propyl]thiochroman-4-amine (4S)-N-[3-(1-piperidyl)propyl]th…

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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) 2.50 9.39 -34.96 2 2 1 16 291.484 5 ↓
Mid Mid (pH 6-8) 2.50 8.4 -44.89 2 2 1 20 291.484 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[3-[(2R)-2-methyl-1-piperidyl]propyl]thiochroman-4-amine (4R)-N-[3-[(2R)-2-methyl-1-piper…

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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) 2.83 9.87 -33.35 2 2 1 16 305.511 5 ↓
Mid Mid (pH 6-8) 2.83 8.67 -47.66 2 2 1 20 305.511 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[3-[(2S)-2-methyl-1-piperidyl]propyl]thiochroman-4-amine (4R)-N-[3-[(2S)-2-methyl-1-piper…

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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) 2.83 9.87 -33.44 2 2 1 16 305.511 5 ↓
Mid Mid (pH 6-8) 2.83 8.5 -48.32 2 2 1 20 305.511 5 ↓

Analogs

37979292
37979292
37979293
37979293
45664097
45664097
45664098
45664098
45684535
45684535

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-8-fluoro-N-[3-(1-piperidyl)propyl]thiochroman-4-amine (4S)-8-fluoro-N-[3-(1-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) 2.62 9.44 -38.55 2 2 1 16 309.474 5 ↓
Mid Mid (pH 6-8) 2.62 8.39 -50.94 2 2 1 20 309.474 5 ↓

Analogs

37979292
37979292
37979293
37979293
45664097
45664097
45664098
45664098
45684535
45684535

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-8-fluoro-N-[3-(1-piperidyl)propyl]thiochroman-4-amine (4R)-8-fluoro-N-[3-(1-piperidyl)…

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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) 2.62 9.79 -41.04 2 2 1 16 309.474 5 ↓
Mid Mid (pH 6-8) 2.62 8.39 -50.73 2 2 1 20 309.474 5 ↓

Analogs

45664105
45664105
45664106
45664106
45684559
45684559
45684561
45684561

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6-chloro-N-[3-(1-piperidyl)propyl]thiochroman-4-amine (4R)-6-chloro-N-[3-(1-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) 3.16 10.26 -36.59 2 2 1 16 325.929 5 ↓
Mid Mid (pH 6-8) 3.16 8.86 -44.52 2 2 1 20 325.929 5 ↓

Analogs

45664105
45664105
45664106
45664106
45684559
45684559
45684561
45684561

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-chloro-N-[3-(1-piperidyl)propyl]thiochroman-4-amine (4S)-6-chloro-N-[3-(1-piperidyl)…

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) 3.16 9.9 -34.07 2 2 1 16 325.929 5 ↓
Mid Mid (pH 6-8) 3.16 8.87 -44.54 2 2 1 20 325.929 5 ↓

Parameters Provided:

ring.id = 25545
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 = 25545 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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