Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_h8smi20kcrr3igrfsito27i0l5, 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

Draw Identity 99% 90% 80% 70%

Popular Name: 3,7-diisopropyl-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-ol 3,7-diisopropyl-1,5-diphenyl-3,7…

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) 4.13 12.12 -27.22 2 3 1 28 379.568 4 ↓

Analogs

20608741
20608741

Draw Identity 99% 90% 80% 70%

Popular Name: 3-Ethyl-1,5-dimethyl-3,7-diaza-bicyclo[3.3.1]-nonan-9-ol 3-Ethyl-1,5-dimethyl-3,7-diaza-b…

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) 0.46 2.7 -28.84 3 3 1 40 199.318 1 ↓
Hi High (pH 8-9.5) 0.46 3.08 -42.97 2 3 0 40 198.31 1 ↓
Mid Mid (pH 6-8) 0.46 3.5 -85.17 3 3 1 44 199.318 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,5-diethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol 1,5-diethyl-3,7-diazabicyclo[3.3…

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) 0.16 0.37 -2.24 4 3 0 49 199.318 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,5-dimethyl-3-(3-methylbutyl)-3,7-diazabicyclo[3.3.1]nonane 1,5-dimethyl-3-(3-methylbutyl)-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) 2.65 8.08 -13.6 3 2 0 21 226.408 3 ↓
Mid Mid (pH 6-8) 2.65 7.22 -0.21 2 2 0 16 225.4 3 ↓
Mid Mid (pH 6-8) 2.65 7.71 -30.38 2 2 1 20 225.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3,5-trimethyl-3,7-diazabicyclo[3.3.1]nonane 1,3,5-trimethyl-3,7-diazabicyclo…

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) 1.00 4.95 -29.57 2 2 1 20 169.292 0 ↓
Mid Mid (pH 6-8) 1.00 4.53 -0.36 2 2 0 16 169.292 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3,5-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol 1,3,5-trimethyl-3,7-diazabicyclo…

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) 0.08 1.93 -32.95 3 3 1 40 185.291 0 ↓
Mid Mid (pH 6-8) 0.08 2.07 -26.03 3 3 1 37 185.291 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(1R,5S)-9-hydroxy-1,3,5-trimethyl-3,7-diazabicyclo[3.3.1]nonane-7-carbonyl]anilino]acetic 2-[2-[(1R,5S)-9-hydroxy-1,3,5-tr…

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) -0.62 6.68 -44.82 3 7 0 97 361.442 4 ↓
Lo Low (pH 4.5-6) -0.62 4.7 -31.37 4 7 1 94 362.45 4 ↓

Analogs

4610636
4610636
19723334
19723334

Draw Identity 99% 90% 80% 70%

Popular Name: 3,7-dibenzyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane 3,7-dibenzyl-1,5-dimethyl-3,7-di…

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 13.83 -28.89 1 2 1 8 335.515 4 ↓

Analogs

13729306
13729306

Draw Identity 99% 90% 80% 70%

Popular Name: 3,7-dibenzyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol 3,7-dibenzyl-1,5-dimethyl-3,7-di…

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) 3.48 11.36 -26.15 2 3 1 28 351.514 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-1,5,7-trimethyl-3-[6-(4-piperidyl)pyrimidin-4-yl]-3,7-diazabicyclo[3.3.1]nonane (1R,5S)-1,5,7-trimethyl-3-[6-(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) 1.75 10.37 -87.08 3 5 2 50 331.508 2 ↓
Mid Mid (pH 6-8) 1.75 11.02 -166.03 4 5 3 51 332.516 2 ↓

Parameters Provided:

ring.id = 26299
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 = 26299 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=26299&filter.purchasability=annotated

Embed Link to Results