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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: (1S)-1-[(4-propyl-1-piperidyl)methyl]-1,2,3,4-tetrahydroisoquinoline (1S)-1-[(4-propyl-1-piperidyl)me…

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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) 4.10 10.65 -123.72 3 2 2 21 274.452 4 ↓
Mid Mid (pH 6-8) 4.10 9.38 -36.34 2 2 1 16 273.444 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(4-propyl-1-piperidyl)methyl]-1,2,3,4-tetrahydroisoquinoline (1R)-1-[(4-propyl-1-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) 4.10 10.65 -123.67 3 2 2 21 274.452 4 ↓
Mid Mid (pH 6-8) 4.10 9.45 -34.95 2 2 1 16 273.444 4 ↓

Analogs

43595885
43595885
43595887
43595887
43596183
43596183
43596184
43596184

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[(4-ethyl-4-methyl-1-piperidyl)methyl]-1,2,3,4-tetrahydroisoquinoline (1S)-1-[(4-ethyl-4-methyl-1-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) 3.60 8.75 -36.23 2 2 1 16 273.444 3 ↓
Mid Mid (pH 6-8) 3.60 10.02 -125.05 3 2 2 21 274.452 3 ↓

Analogs

43595885
43595885
43595887
43595887
43596183
43596183
43596184
43596184

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(4-ethyl-4-methyl-1-piperidyl)methyl]-1,2,3,4-tetrahydroisoquinoline (1R)-1-[(4-ethyl-4-methyl-1-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) 3.60 8.81 -34.91 2 2 1 16 273.444 3 ↓
Mid Mid (pH 6-8) 3.60 10.02 -125.09 3 2 2 21 274.452 3 ↓

Analogs

43595885
43595885
43595887
43595887
43596183
43596183
43596184
43596184

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[(4,4-diethyl-1-piperidyl)methyl]-1,2,3,4-tetrahydroisoquinoline (1S)-1-[(4,4-diethyl-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) 3.93 9.23 -36.86 2 2 1 16 287.471 4 ↓
Mid Mid (pH 6-8) 3.93 10.49 -126.53 3 2 2 21 288.479 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(4,4-diethyl-1-piperidyl)methyl]-1,2,3,4-tetrahydroisoquinoline (1R)-1-[(4,4-diethyl-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) 3.93 9.28 -35.5 2 2 1 16 287.471 4 ↓
Mid Mid (pH 6-8) 3.93 10.51 -126.62 3 2 2 21 288.479 4 ↓

Parameters Provided:

ring.id = 16876
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 = 16876 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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