Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_vl5k2m3g37c5mjiruc2qnveag0, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-1-[(3S,6R)-6-methyl-3-piperidyl]-3,4-dihydro-2H-quinoline (2S)-2-methyl-1-[(3S,6R)-6-methy…

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) 3.38 8.3 -39.1 2 2 1 20 245.39 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-1-[(3S,6S)-6-methyl-3-piperidyl]-3,4-dihydro-2H-quinoline (2S)-2-methyl-1-[(3S,6S)-6-methy…

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) 3.38 8.16 -40.23 2 2 1 20 245.39 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-1-[(3R,6R)-6-methyl-3-piperidyl]-3,4-dihydro-2H-quinoline (2S)-2-methyl-1-[(3R,6R)-6-methy…

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) 3.38 8.16 -40.1 2 2 1 20 245.39 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-1-[(3R,6S)-6-methyl-3-piperidyl]-3,4-dihydro-2H-quinoline (2S)-2-methyl-1-[(3R,6S)-6-methy…

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) 3.38 7.94 -35.37 2 2 1 20 245.39 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-1-[(3R,6S)-6-methyl-3-piperidyl]-3,4-dihydro-2H-quinoline 6-methyl-1-[(3R,6S)-6-methyl-3-p…

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) 3.48 8.23 -36.37 2 2 1 20 245.39 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-1-[(3S,6S)-6-methyl-3-piperidyl]-3,4-dihydro-2H-quinoline 6-methyl-1-[(3S,6S)-6-methyl-3-p…

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) 3.48 8.35 -39.9 2 2 1 20 245.39 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S,6R)-6-methyl-3-piperidyl]-3,4-dihydro-2H-quinoline 1-[(3S,6R)-6-methyl-3-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) 3.06 8 -40.49 2 2 1 20 231.363 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S,6S)-6-methyl-3-piperidyl]-3,4-dihydro-2H-quinoline 1-[(3S,6S)-6-methyl-3-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) 3.06 7.68 -39.94 2 2 1 20 231.363 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R,6R)-6-methyl-3-piperidyl]-3,4-dihydro-2H-quinoline 1-[(3R,6R)-6-methyl-3-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) 3.06 7.68 -39.96 2 2 1 20 231.363 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R,6S)-6-methyl-3-piperidyl]-3,4-dihydro-2H-quinoline 1-[(3R,6S)-6-methyl-3-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) 3.06 7.55 -36.4 2 2 1 20 231.363 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-1-[(3R)-3-piperidyl]-3,4-dihydro-2H-quinoline (2R)-2-methyl-1-[(3R)-3-piperidy…

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) 2.71 7.18 -40.92 2 2 1 20 231.363 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-1-[(3R)-3-piperidyl]-3,4-dihydro-2H-quinoline (2S)-2-methyl-1-[(3R)-3-piperidy…

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) 2.71 7.47 -42.34 2 2 1 20 231.363 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-1-[(3R)-3-piperidyl]-3,4-dihydro-2H-quinoline 6-methyl-1-[(3R)-3-piperidyl]-3,…

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) 2.80 7.65 -42.05 2 2 1 20 231.363 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-1-[(3S)-3-piperidyl]-3,4-dihydro-2H-quinoline 6-methyl-1-[(3S)-3-piperidyl]-3,…

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) 2.80 7.65 -42.09 2 2 1 20 231.363 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-Piperidinyl)-1,2,3,4-tetrahydroquinolinedihydrochloride 1-(3-Piperidinyl)-1,2,3,4-tetrah…

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) 2.38 6.99 -42.14 2 2 1 20 217.336 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-Piperidinyl)-1,2,3,4-tetrahydroquinolinedihydrochloride 1-(3-Piperidinyl)-1,2,3,4-tetrah…

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) 2.38 6.98 -42.08 2 2 1 20 217.336 1 ↓

Parameters Provided:

ring.id = 316188
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 = 316188 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=316188&filter.purchasability=annotated

Embed Link to Results