Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_mjck31c5i7f4jbcqnish2g2s64, 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

36536880
36536880
36536883
36536883
36536884
36536884
36536885
36536885
36536886
36536886

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(1R)-2-(tert-butylamino)-1-cyclohexyl-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]benzamide N-[2-[[(1R)-2-(tert-butylamino)-…

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) 3.05 8.53 -10.89 2 6 0 79 387.524 7 ↓

Analogs

36536883
36536883
36536884
36536884
36536885
36536885
36536886
36536886
36591069
36591069

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(1S)-2-(tert-butylamino)-1-cyclohexyl-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]benzamide N-[2-[[(1S)-2-(tert-butylamino)-…

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) 3.05 8.75 -11.36 2 6 0 79 387.524 7 ↓

Analogs

36536886
36536886
36536887
36536887
36536888
36536888
36591073
36591073
36536879
36536879

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(1R)-1-cyclohexyl-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-methyl-amino]-2-oxo-ethyl]ben N-[2-[[(1R)-1-cyclohexyl-2-oxo-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) 4.65 11.62 -10.09 2 6 0 79 443.632 9 ↓

Analogs

36536887
36536887
36536888
36536888
36591073
36591073
36536879
36536879
36536880
36536880

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(1S)-1-cyclohexyl-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-methyl-amino]-2-oxo-ethyl]ben N-[2-[[(1S)-1-cyclohexyl-2-oxo-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) 4.65 11.72 -10.1 2 6 0 79 443.632 9 ↓

Analogs

36536888
36536888
36536883
36536883
36536884
36536884
36536885
36536885
36536886
36536886

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(1R)-2-(butylamino)-1-cyclohexyl-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]benzamide N-[2-[[(1R)-2-(butylamino)-1-cyc…

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) 3.30 8.79 -11.37 2 6 0 79 387.524 9 ↓

Analogs

36536887
36536887
36536883
36536883
36536884
36536884
36536885
36536885
36536886
36536886

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(1S)-2-(butylamino)-1-cyclohexyl-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]benzamide N-[2-[[(1S)-2-(butylamino)-1-cyc…

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) 3.30 9.07 -10.97 2 6 0 79 387.524 9 ↓

Analogs

25520434
25520434
25520438
25520438

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-1-(cyclohexylmethylcarbamoyl)-2-methyl-butyl]benzamide N-[(1R,2R)-1-(cyclohexylmethylca…

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) 4.14 8.53 -9.18 2 4 0 58 330.472 7 ↓

Analogs

25520434
25520434
25520438
25520438
31542479
31542479
31542484
31542484

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-1-(cyclohexylmethylcarbamoyl)-2-methyl-butyl]benzamide N-[(1R,2S)-1-(cyclohexylmethylca…

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) 4.14 8.36 -8.04 2 4 0 58 330.472 7 ↓

Analogs

25520434
25520434
25520438
25520438
31542479
31542479
31542484
31542484

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-1-(cyclohexylmethylcarbamoyl)-2-methyl-butyl]benzamide N-[(1S,2R)-1-(cyclohexylmethylca…

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) 4.14 8.39 -8.17 2 4 0 58 330.472 7 ↓

Analogs

25520434
25520434
25520438
25520438
31542479
31542479
31542484
31542484

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-1-(cyclohexylmethylcarbamoyl)-2-methyl-butyl]benzamide N-[(1S,2S)-1-(cyclohexylmethylca…

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) 4.14 8.73 -8.13 2 4 0 58 330.472 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[allyl(cyclohexylmethyl)amino]-2-oxo-ethyl]-2-chloro-6-nitro-benzamide N-[2-[allyl(cyclohexylmethyl)ami…

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) 3.96 10.05 -15.31 1 7 0 95 393.871 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[allyl(cyclohexylmethyl)amino]-2-oxo-ethyl]-3,4-dimethoxy-benzamide N-[2-[allyl(cyclohexylmethyl)ami…

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 8.05 -11.28 1 6 0 68 374.481 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[allyl(cyclohexylmethyl)amino]-2-oxo-ethyl]-4-cyano-benzamide N-[2-[allyl(cyclohexylmethyl)ami…

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) 3.17 9.23 -9.83 1 5 0 73 339.439 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[2-(cyclohexylmethylamino)-2-oxo-ethyl]benzamide 4-amino-N-[2-(cyclohexylmethylam…

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) 2.10 3.39 -9.81 4 5 0 84 289.379 5 ↓

Parameters Provided:

ring.id = 96288
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 = 96288 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=96288&filter.purchasability=annotated

Embed Link to Results