Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_uo26acsojjl69j0a93r0g8oec3, 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

41200994
41200994
41200997
41200997
41201000
41201000
41201262
41201262
41201265
41201265

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-methyl-cyclohexanamine (1R,2R)-N-cyclopropyl-1-(5,6-dih…

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) 3.91 8.49 -34.56 2 2 1 29 277.457 3 ↓
Hi High (pH 8-9.5) 3.91 7.48 -4.83 1 2 0 25 276.449 3 ↓

Analogs

41200997
41200997
41201000
41201000
41201262
41201262
41201265
41201265
71163098
71163098

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-methyl-cyclohexanamine (1R,2S)-N-cyclopropyl-1-(5,6-dih…

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) 3.91 8.34 -34.09 2 2 1 29 277.457 3 ↓
Hi High (pH 8-9.5) 3.91 7.49 -5.53 1 2 0 25 276.449 3 ↓

Analogs

41201000
41201000
41201262
41201262
41201265
41201265
71163098
71163098
71163099
71163099

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-methyl-cyclohexanamine (1S,2R)-N-cyclopropyl-1-(5,6-dih…

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) 3.91 8.33 -32.76 2 2 1 29 277.457 3 ↓
Hi High (pH 8-9.5) 3.91 7.69 -4.67 1 2 0 25 276.449 3 ↓

Analogs

41201262
41201262
41201265
41201265
71163098
71163098
71163099
71163099
71163100
71163100

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-methyl-cyclohexanamine (1S,2S)-N-cyclopropyl-1-(5,6-dih…

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) 3.91 8.49 -33.27 2 2 1 29 277.457 3 ↓
Hi High (pH 8-9.5) 3.91 7.85 -3.94 1 2 0 25 276.449 3 ↓

Analogs

41201012
41201012
41201015
41201015
41201018
41201018
71126826
71126826
71126829
71126829

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-methyl-cyclohexanamine (1R,3R)-N-cyclopropyl-1-(5,6-dih…

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) 3.67 9.08 -28.99 2 2 1 29 277.457 3 ↓
Hi High (pH 8-9.5) 3.67 7.39 -5.37 1 2 0 25 276.449 3 ↓

Analogs

41201015
41201015
41201018
41201018
71126826
71126826
71126829
71126829
71126831
71126831

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-methyl-cyclohexanamine (1R,3S)-N-cyclopropyl-1-(5,6-dih…

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) 3.67 9.37 -27.36 2 2 1 29 277.457 3 ↓
Hi High (pH 8-9.5) 3.67 8.15 -4.77 1 2 0 25 276.449 3 ↓

Analogs

41201018
41201018
71126826
71126826
71126829
71126829
71126831
71126831
71126833
71126833

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-methyl-cyclohexanamine (1S,3R)-N-cyclopropyl-1-(5,6-dih…

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) 3.67 8.86 -27.1 2 2 1 29 277.457 3 ↓
Hi High (pH 8-9.5) 3.67 8.66 -4.42 1 2 0 25 276.449 3 ↓

Analogs

71126826
71126826
71126829
71126829
71126831
71126831
71126833
71126833
41201009
41201009

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-methyl-cyclohexanamine (1S,3S)-N-cyclopropyl-1-(5,6-dih…

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) 3.67 8.51 -29.05 2 2 1 29 277.457 3 ↓
Hi High (pH 8-9.5) 3.67 7.75 -4.52 1 2 0 25 276.449 3 ↓

Analogs

41201193
41201193
41201211
41201211
54557571
54557571

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-4-methyl-cyclohexanamine N-cyclopropyl-1-(5,6-dihydro-4H-…

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) 3.44 8.31 -29.33 2 2 1 29 277.457 3 ↓
Hi High (pH 8-9.5) 3.44 7.52 -4.42 1 2 0 25 276.449 3 ↓

Analogs

41201211
41201211
54557571
54557571
41201060
41201060

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-4-ethyl-cyclohexanamine N-cyclopropyl-1-(5,6-dihydro-4H-…

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) 4.12 9.64 -30.1 2 2 1 29 291.484 4 ↓
Hi High (pH 8-9.5) 4.12 8.03 -5.25 1 2 0 25 290.476 4 ↓

Analogs

41200891
41200891
41200894
41200894
41201060
41201060
41201193
41201193

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)cyclohexanamine N-cyclopropyl-1-(5,6-dihydro-4H-…

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) 3.67 7.91 -28.74 2 2 1 29 263.43 3 ↓
Hi High (pH 8-9.5) 3.67 7.15 -4.64 1 2 0 25 262.422 3 ↓

Parameters Provided:

ring.id = 521760
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 = 521760 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=521760&filter.purchasability=annotated

Embed Link to Results