Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_u515aipdfre3je66e0k27qill4, 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

11814394
11814394
11841888
11841888
11841890
11841890
11996755
11996755
11996757
11996757

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-butanoyl-7-(cyclohexylmethyl)-3,7-diazaspiro[4.5]decan-6-one (5R)-3-butanoyl-7-(cyclohexylmet…

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) 3.35 -0.08 -11.89 0 4 0 41 320.477 4 ↓

Analogs

11841888
11841888
11841890
11841890
11996755
11996755
11996757
11996757
12709821
12709821

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-butanoyl-7-(cyclohexylmethyl)-3,7-diazaspiro[4.5]decan-6-one (5S)-3-butanoyl-7-(cyclohexylmet…

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) 3.35 -0.19 -13.34 0 4 0 41 320.477 4 ↓

Analogs

11996757
11996757
12709821
12709821
12709827
12709827
14947835
14947835
39678970
39678970

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-acetyl-7-(cyclohexylmethyl)-3,7-diazaspiro[4.5]decan-6-one (5S)-3-acetyl-7-(cyclohexylmethy…

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) 1.95 -0.42 -13.83 0 4 0 41 292.423 2 ↓

Analogs

12709821
12709821
12709827
12709827
14947835
14947835
39678970
39678970
39678971
39678971

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-acetyl-7-(cyclohexylmethyl)-3,7-diazaspiro[4.5]decan-6-one (5R)-3-acetyl-7-(cyclohexylmethy…

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) 1.95 -0.41 -11.74 0 4 0 41 292.423 2 ↓

Analogs

12024338
12024338
11765983
11765983
11765989
11765989

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-allyl-7-(cyclohexylmethyl)-6-oxo-3,7-diazaspiro[4.5]decane-3-carboxamide (5S)-N-allyl-7-(cyclohexylmethyl…

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) 3.43 -1.88 -15.6 1 5 0 53 333.476 4 ↓

Analogs

12024332
12024332
11765983
11765983

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-allyl-7-(cyclohexylmethyl)-6-oxo-3,7-diazaspiro[4.5]decane-3-carboxamide (5R)-N-allyl-7-(cyclohexylmethyl…

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) 3.43 -2.11 -13.83 1 5 0 53 333.476 4 ↓

Parameters Provided:

ring.id = 47341
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 = 47341 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=47341&filter.purchasability=annotated

Embed Link to Results