Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_mtlrqoble12o0qu87223mfqj33, 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: 2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]imidazo[1,2-a]pyridine-3-carbaldehyde 2-[[(3R)-1,1-dioxothiolan-3-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) 1.08 4.65 -19.17 0 6 0 72 293.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]imidazo[1,2-a]pyridine-3-carbaldehyde 2-[[(3S)-1,1-dioxothiolan-3-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) 1.08 4.68 -18.58 0 6 0 72 293.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]imidazo[1,2-a]pyridine-3-carboxylic 2-[[(3R)-1,1-dioxothiolan-3-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) 0.86 4.37 -65.66 0 7 -1 95 308.339 3 ↓
Mid Mid (pH 6-8) 0.86 4.84 -58.44 1 7 0 96 309.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]imidazo[1,2-a]pyridine-3-carboxylic 2-[[(3S)-1,1-dioxothiolan-3-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) 0.86 4.32 -65.74 0 7 -1 95 308.339 3 ↓
Mid Mid (pH 6-8) 0.86 4.81 -59.29 1 7 0 96 309.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]imidazo[1,2-a]pyridin-3-yl]methanol [2-[[(3R)-1,1-dioxothiolan-3-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) 0.62 2.26 -20.94 1 6 0 75 295.364 3 ↓
Lo Low (pH 4.5-6) 0.62 2.74 -39 2 6 1 76 296.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]imidazo[1,2-a]pyridin-3-yl]methanol [2-[[(3S)-1,1-dioxothiolan-3-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) 0.62 2.27 -18.46 1 6 0 75 295.364 3 ↓
Lo Low (pH 4.5-6) 0.62 2.75 -39.43 2 6 1 76 296.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(chloromethyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-imidazo[1,2-a]pyridin-2-amine 3-(chloromethyl)-N-[(3R)-1,1-dio…

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) 1.86 6.12 -16.84 0 5 0 55 313.81 3 ↓
Lo Low (pH 4.5-6) 1.86 6.6 -40.26 1 5 1 56 314.818 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(chloromethyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-imidazo[1,2-a]pyridin-2-amine 3-(chloromethyl)-N-[(3S)-1,1-dio…

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) 1.86 6.11 -18.97 0 5 0 55 313.81 3 ↓
Lo Low (pH 4.5-6) 1.86 6.58 -40.96 1 5 1 56 314.818 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-amine N-[(3R)-1,1-dioxothiolan-3-yl]-N…

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) 0.84 4.84 -58.96 2 6 1 71 309.415 4 ↓
Hi High (pH 8-9.5) 0.84 3.38 -15.89 1 6 0 67 308.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-amine N-[(3S)-1,1-dioxothiolan-3-yl]-N…

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) 0.84 4.81 -64.48 2 6 1 71 309.415 4 ↓
Hi High (pH 8-9.5) 0.84 3.37 -17.5 1 6 0 67 308.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(aminomethyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-imidazo[1,2-a]pyridin-2-amine 3-(aminomethyl)-N-[(3R)-1,1-diox…

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) 0.47 2.91 -64.89 3 6 1 82 295.388 3 ↓
Hi High (pH 8-9.5) 0.47 2.52 -16.77 2 6 0 81 294.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(aminomethyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-imidazo[1,2-a]pyridin-2-amine 3-(aminomethyl)-N-[(3S)-1,1-diox…

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) 0.47 2.9 -71.3 3 6 1 82 295.388 3 ↓
Hi High (pH 8-9.5) 0.47 2.5 -18.75 2 6 0 81 294.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-1,1-dioxothiolan-3-yl]amino]imidazo[1,2-a]pyridine-3-carboxylic 2-[[(3R)-1,1-dioxothiolan-3-yl]a…

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) 0.61 2.82 -62.75 1 7 -1 104 294.312 3 ↓
Mid Mid (pH 6-8) 0.61 3.26 -57.78 2 7 0 105 295.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]amino]imidazo[1,2-a]pyridine-3-carboxylic 2-[[(3S)-1,1-dioxothiolan-3-yl]a…

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) 0.61 2.83 -63.55 1 7 -1 104 294.312 3 ↓
Mid Mid (pH 6-8) 0.61 3.27 -60.23 2 7 0 105 295.32 3 ↓

Parameters Provided:

ring.id = 117802
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 = 117802 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=117802&filter.purchasability=annotated

Embed Link to Results