Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_2u4l87mdms0u1rb0leuepc5p73, 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

44512413
44512413
44517156
44517156
44517702
44517702
44517906
44517906

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1-methyl-4-piperidyl)ethyl]-1,1-dioxo-thian-4-amine N-[(1S)-1-(1-methyl-4-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) 1.02 4.13 -116.96 3 4 2 55 276.446 3 ↓
Hi High (pH 8-9.5) 1.02 3.22 -44.13 2 4 1 51 275.438 3 ↓

Analogs

44512413
44512413
44517156
44517156
44517702
44517702
44517906
44517906

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1-methyl-4-piperidyl)ethyl]-1,1-dioxo-thian-4-amine N-[(1R)-1-(1-methyl-4-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) 1.02 4.22 -116.46 3 4 2 55 276.446 3 ↓
Hi High (pH 8-9.5) 1.02 3.36 -43.52 2 4 1 51 275.438 3 ↓

Analogs

44512413
44512413
44517156
44517156
44517702
44517702
44517906
44517906

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1-ethyl-4-piperidyl)ethyl]-1,1-dioxo-thian-4-amine N-[(1R)-1-(1-ethyl-4-piperidyl)e…

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) 1.40 4.87 -116.84 3 4 2 55 290.473 4 ↓
Hi High (pH 8-9.5) 1.40 4.02 -42.58 2 4 1 51 289.465 4 ↓

Analogs

44512413
44512413
44517156
44517156
44517702
44517702
44517906
44517906

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1-ethyl-4-piperidyl)ethyl]-1,1-dioxo-thian-4-amine N-[(1S)-1-(1-ethyl-4-piperidyl)e…

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) 1.40 4.79 -117.39 3 4 2 55 290.473 4 ↓
Hi High (pH 8-9.5) 1.40 3.89 -43.23 2 4 1 51 289.465 4 ↓

Analogs

44512413
44512413
44517156
44517156
44517702
44517702
44517906
44517906

Draw Identity 99% 90% 80% 70%

Popular Name: 1,1-dioxo-N-[(1R)-1-(1-propyl-4-piperidyl)ethyl]thian-4-amine 1,1-dioxo-N-[(1R)-1-(1-propyl-4-…

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) 1.90 5.61 -118.41 3 4 2 55 304.5 5 ↓
Hi High (pH 8-9.5) 1.90 4.75 -43.32 2 4 1 51 303.492 5 ↓

Analogs

44512413
44512413
44517156
44517156
44517702
44517702
44517906
44517906

Draw Identity 99% 90% 80% 70%

Popular Name: 1,1-dioxo-N-[(1S)-1-(1-propyl-4-piperidyl)ethyl]thian-4-amine 1,1-dioxo-N-[(1S)-1-(1-propyl-4-…

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) 1.90 5.52 -118.98 3 4 2 55 304.5 5 ↓
Hi High (pH 8-9.5) 1.90 4.63 -44 2 4 1 51 303.492 5 ↓

Parameters Provided:

ring.id = 89004
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 = 89004 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=89004&filter.purchasability=annotated

Embed Link to Results