UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-6-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile 2-amino-6-(imidazo[1,2-a]pyridin…

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 7.7 -14.4 2 6 0 104 306.354 3 ↓
Lo Low (pH 4.5-6) 2.05 8.15 -35.78 3 6 1 105 307.362 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)pyridine-4-carboxylic 2-(imidazo[1,2-a]pyridin-2-ylmet…

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) 2.70 8.83 -53.57 0 5 -1 70 284.32 4 ↓
Lo Low (pH 4.5-6) 2.70 9.27 -59.98 1 5 0 72 285.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-4-carboxylic 2-[(6-methylimidazo[1,2-a]pyridi…

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) 3.10 9.48 -52.69 0 5 -1 70 298.347 4 ↓
Mid Mid (pH 6-8) 3.10 9.92 -58.61 1 5 0 72 299.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-4-carboxylic 2-[(8-methylimidazo[1,2-a]pyridi…

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) 3.10 9.42 -53.47 0 5 -1 70 298.347 4 ↓
Mid Mid (pH 6-8) 3.10 9.87 -58.9 1 5 0 72 299.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridin-3-amine 2-[(6-chloroimidazo[1,2-a]pyridi…

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) 2.90 6.72 -9.88 2 4 0 56 290.779 3 ↓
Lo Low (pH 4.5-6) 2.90 7.17 -29.15 3 4 1 57 291.787 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridin-3-amine 2-[(3-nitroimidazo[1,2-a]pyridin…

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) 2.35 7.81 -14.47 2 7 0 102 301.331 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridin-3-amine 2-[(8-methylimidazo[1,2-a]pyridi…

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) 2.67 6.82 -12.7 2 4 0 56 270.361 3 ↓
Mid Mid (pH 6-8) 2.67 7.26 -27.29 3 4 1 57 271.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridin-3-amine 2-[(6-methylimidazo[1,2-a]pyridi…

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) 2.67 6.87 -12.07 2 4 0 56 270.361 3 ↓
Mid Mid (pH 6-8) 2.67 7.32 -27.1 3 4 1 57 271.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)pyridin-3-amine 2-(imidazo[1,2-a]pyridin-2-ylmet…

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) 2.27 6.22 -12.9 2 4 0 56 256.334 3 ↓
Lo Low (pH 4.5-6) 2.27 6.66 -28.23 3 4 1 57 257.342 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridin-3-amine 6-[(6-chloroimidazo[1,2-a]pyridi…

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) 3.12 6.66 -10.08 2 4 0 56 290.779 3 ↓
Lo Low (pH 4.5-6) 3.12 7.1 -28.65 3 4 1 57 291.787 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridin-3-amine 6-[(3-nitroimidazo[1,2-a]pyridin…

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) 2.57 7.74 -14.64 2 7 0 102 301.331 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridin-3-amine 6-[(8-methylimidazo[1,2-a]pyridi…

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) 2.89 6.75 -12.99 2 4 0 56 270.361 3 ↓
Mid Mid (pH 6-8) 2.89 7.2 -26.84 3 4 1 57 271.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridin-3-amine 6-[(6-methylimidazo[1,2-a]pyridi…

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) 2.89 6.8 -12.39 2 4 0 56 270.361 3 ↓
Mid Mid (pH 6-8) 2.89 7.25 -26.72 3 4 1 57 271.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)pyridin-3-amine 6-(imidazo[1,2-a]pyridin-2-ylmet…

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) 2.49 6.15 -13.15 2 4 0 56 256.334 3 ↓
Lo Low (pH 4.5-6) 2.49 6.6 -27.81 3 4 1 57 257.342 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)pyridine-3-carboxylic 6-(imidazo[1,2-a]pyridin-2-ylmet…

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) 2.41 8.82 -52.06 0 5 -1 70 284.32 4 ↓
Lo Low (pH 4.5-6) 2.41 9.26 -59.7 1 5 0 72 285.328 4 ↓

Analogs

3305284
3305284

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic 6-[(6-methylimidazo[1,2-a]pyridi…

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) 2.81 9.47 -51.15 0 5 -1 70 298.347 4 ↓
Mid Mid (pH 6-8) 2.81 9.91 -58.32 1 5 0 72 299.355 4 ↓

Analogs

42564100
42564100
3305284
3305284

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic 6-[(8-methylimidazo[1,2-a]pyridi…

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) 2.81 9.41 -51.96 0 5 -1 70 298.347 4 ↓
Mid Mid (pH 6-8) 2.81 9.86 -58.65 1 5 0 72 299.355 4 ↓

Parameters Provided:

ring.id = 207189
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 = 207189 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=207189&filter.purchasability=annotated

Embed Link to Results