Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_06b1iehr11j20eiicmse4ochd6, 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: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-y N-(5-methyl-1,3,4-thiadiazol-2-y…

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) 0.99 5.8 -22.89 1 7 0 92 336.417 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-y N-(5-methyl-1,3,4-thiadiazol-2-y…

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) 0.99 5.48 -21.42 1 7 0 92 336.417 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl N-(5-ethyl-1,3,4-thiadiazol-2-yl…

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) 1.57 6.55 -22.36 1 7 0 92 350.444 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl N-(5-ethyl-1,3,4-thiadiazol-2-yl…

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) 1.57 6.24 -20.9 1 7 0 92 350.444 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan- N-(5-isopropyl-1,3,4-thiadiazol-…

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) 2.05 7.16 -21.96 1 7 0 92 364.471 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan- N-(5-isopropyl-1,3,4-thiadiazol-…

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) 2.05 6.85 -20.61 1 7 0 92 364.471 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3,4-thiadiazol-2-yl)-2-[(1S,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetami N-(1,3,4-thiadiazol-2-yl)-2-[(1S…

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) 1.28 4.86 -22.78 1 7 0 92 322.39 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3,4-thiadiazol-2-yl)-2-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetami N-(1,3,4-thiadiazol-2-yl)-2-[(1R…

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) 1.28 4.58 -21.45 1 7 0 92 322.39 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-y N-(5-propyl-1,3,4-thiadiazol-2-y…

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) 2.07 7.32 -21.95 1 7 0 92 364.471 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-y N-(5-propyl-1,3,4-thiadiazol-2-y…

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) 2.07 7.01 -20.54 1 7 0 92 364.471 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl N-(5-butyl-1,3,4-thiadiazol-2-yl…

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) 2.63 8.1 -21.94 1 7 0 92 378.498 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl N-(5-butyl-1,3,4-thiadiazol-2-yl…

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) 2.63 7.8 -20.54 1 7 0 92 378.498 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(1S,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1] N-[5-(methoxymethyl)-1,3,4-thiad…

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) 0.96 4.64 -23.33 1 8 0 101 366.443 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1] N-[5-(methoxymethyl)-1,3,4-thiad…

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) 0.96 4.36 -22.08 1 8 0 101 366.443 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1] N-[5-(1-ethylpropyl)-1,3,4-thiad…

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) 2.74 8.43 -21.65 1 7 0 92 392.525 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1] N-[5-(1-ethylpropyl)-1,3,4-thiad…

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) 2.74 8.12 -20.3 1 7 0 92 392.525 6 ↓

Parameters Provided:

ring.id = 130185
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 = 130185 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=130185&filter.purchasability=annotated

Embed Link to Results