Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_tpdfh1hgvjmpd37b032hjb04m7, 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

48235844
48235844
48235845
48235845
48235846
48235846
48235847
48235847
17212307
17212307

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-2-hydroxycyclohexyl]-2-[(3S,4R)-2-oxo-3-phenoxy-4-phenyl-azetidin-1-yl]acetamide N-[(1S,2S)-2-hydroxycyclohexyl]-…

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) 3.14 7.14 -16.81 2 6 0 79 394.471 6 ↓

Analogs

48235844
48235844
48235845
48235845
48235846
48235846
48235847
48235847
17212307
17212307

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-2-hydroxycyclohexyl]-2-[(3S,4S)-2-oxo-3-phenoxy-4-phenyl-azetidin-1-yl]acetamide N-[(1S,2S)-2-hydroxycyclohexyl]-…

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) 3.14 7.36 -18.19 2 6 0 79 394.471 6 ↓

Analogs

48235844
48235844
48235845
48235845
48235846
48235846
48235847
48235847
17212307
17212307

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-2-hydroxycyclohexyl]-2-[(3R,4R)-2-oxo-3-phenoxy-4-phenyl-azetidin-1-yl]acetamide N-[(1S,2S)-2-hydroxycyclohexyl]-…

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) 3.14 6.74 -18.93 2 6 0 79 394.471 6 ↓

Analogs

48235844
48235844
48235845
48235845
48235846
48235846
48235847
48235847
17212307
17212307

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-2-hydroxycyclohexyl]-2-[(3R,4S)-2-oxo-3-phenoxy-4-phenyl-azetidin-1-yl]acetamide N-[(1S,2S)-2-hydroxycyclohexyl]-…

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) 3.14 7.43 -16.22 2 6 0 79 394.471 6 ↓

Analogs

48235844
48235844
48235845
48235845
48235846
48235846
48235847
48235847
17212307
17212307

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-tert-butylcyclohexyl)-2-[(3S,4R)-2-oxo-3-phenoxy-4-phenyl-azetidin-1-yl]acetamide N-(4-tert-butylcyclohexyl)-2-[(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) 5.39 13.21 -13.8 1 5 0 59 434.58 7 ↓

Analogs

48235844
48235844
48235845
48235845
48235846
48235846
48235847
48235847
17212307
17212307

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-tert-butylcyclohexyl)-2-[(3S,4S)-2-oxo-3-phenoxy-4-phenyl-azetidin-1-yl]acetamide N-(4-tert-butylcyclohexyl)-2-[(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) 5.39 12.32 -15.87 1 5 0 59 434.58 7 ↓

Analogs

48235844
48235844
48235845
48235845
48235846
48235846
48235847
48235847
17212307
17212307

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-tert-butylcyclohexyl)-2-[(3R,4R)-2-oxo-3-phenoxy-4-phenyl-azetidin-1-yl]acetamide N-(4-tert-butylcyclohexyl)-2-[(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) 5.39 12.71 -15.74 1 5 0 59 434.58 7 ↓

Analogs

48235844
48235844
48235845
48235845
48235846
48235846
48235847
48235847
17212307
17212307

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-tert-butylcyclohexyl)-2-[(3R,4S)-2-oxo-3-phenoxy-4-phenyl-azetidin-1-yl]acetamide N-(4-tert-butylcyclohexyl)-2-[(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) 5.39 12.4 -13.86 1 5 0 59 434.58 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 4.39 13.19 -18.35 1 7 0 85 450.535 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 4.39 12.73 -18.25 1 7 0 85 450.535 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 4.39 13.12 -20.02 1 7 0 85 450.535 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 4.39 12.8 -16.08 1 7 0 85 450.535 9 ↓

Parameters Provided:

ring.id = 603739
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 = 603739 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=603739&filter.purchasability=annotated

Embed Link to Results