Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_072q01tqk4uqriddkphbmuibk6, 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

45653954
45653954
45653956
45653956

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-[2-(2-thienyl)phenyl]piperidin-4-amine 1-methyl-N-[2-(2-thienyl)phenyl]…

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) 4.41 9.45 -38.29 2 2 1 16 273.425 3 ↓

Analogs

45653954
45653954
45653956
45653956

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isopropyl-N-[2-(2-thienyl)phenyl]piperidin-4-amine 1-isopropyl-N-[2-(2-thienyl)phen…

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) 5.09 10.64 -35.86 2 2 1 16 301.479 4 ↓

Analogs

45653954
45653954
45653956
45653956

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-N-[2-(2-thienyl)phenyl]piperidin-4-amine 1-ethyl-N-[2-(2-thienyl)phenyl]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) 4.79 10.12 -37.22 2 2 1 16 287.452 4 ↓

Analogs

45653954
45653954
45653956
45653956

Draw Identity 99% 90% 80% 70%

Popular Name: 1-propyl-N-[2-(2-thienyl)phenyl]piperidin-4-amine 1-propyl-N-[2-(2-thienyl)phenyl]…

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) 5.29 10.86 -37.98 2 2 1 16 301.479 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S,5R)-1,2,5-trimethyl-N-[2-(2-thienyl)phenyl]piperidin-4-amine (2R,4S,5R)-1,2,5-trimethyl-N-[2-…

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) 5.22 10.63 -36.81 2 2 1 16 301.479 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S,5R)-1,2,5-trimethyl-N-[2-(2-thienyl)phenyl]piperidin-4-amine (2S,4S,5R)-1,2,5-trimethyl-N-[2-…

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) 5.22 10.98 -34.9 2 2 1 16 301.479 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R,5R)-1,2,5-trimethyl-N-[2-(2-thienyl)phenyl]piperidin-4-amine (2R,4R,5R)-1,2,5-trimethyl-N-[2-…

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) 5.22 10.34 -37.35 2 2 1 16 301.479 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R,5R)-1,2,5-trimethyl-N-[2-(2-thienyl)phenyl]piperidin-4-amine (2S,4R,5R)-1,2,5-trimethyl-N-[2-…

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) 5.22 10.66 -37.13 2 2 1 16 301.479 3 ↓

Analogs

45653954
45653954
45653956
45653956

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[2-(2-thienyl)anilino]-1-piperidyl]ethanone 1-[4-[2-(2-thienyl)anilino]-1-pi…

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) 3.77 8.38 -10.15 1 3 0 32 300.427 3 ↓

Analogs

45653954
45653954
45653956
45653956

Draw Identity 99% 90% 80% 70%

Popular Name: 1-prop-2-ynyl-N-[2-(2-thienyl)phenyl]piperidin-4-amine 1-prop-2-ynyl-N-[2-(2-thienyl)ph…

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) 4.57 10.66 -39.63 2 2 1 16 297.447 4 ↓
Mid Mid (pH 6-8) 4.57 8.38 -5 1 2 0 15 296.439 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(2-thienyl)anilino]piperidine-1-carboxamide 4-[2-(2-thienyl)anilino]piperidi…

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) 3.69 5.86 -11.16 3 4 0 58 301.415 3 ↓

Parameters Provided:

ring.id = 135878
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 = 135878 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=135878&filter.purchasability=annotated

Embed Link to Results