UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4167903
4167903
4167905
4167905
13151308
13151308
34539059
34539059
377059
377059

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Furan-2-yl-2,3,3a,4,5,9b-hexahydro-furo[3,2-c]-quinoline 4-Furan-2-yl-2,3,3a,4,5,9b-hexah…

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 5.65 -7.15 1 3 0 34 241.29 1 ↓

Analogs

4167905
4167905
13151308
13151308
34539059
34539059
377059
377059

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Furan-2-yl-2,3,3a,4,5,9b-hexahydro-furo[3,2-c]-quinoline 4-Furan-2-yl-2,3,3a,4,5,9b-hexah…

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 5.56 -5.74 1 3 0 34 241.29 1 ↓

Analogs

13151308
13151308
34539059
34539059
377059
377059

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Furan-2-yl-2,3,3a,4,5,9b-hexahydro-furo[3,2-c]-quinoline 4-Furan-2-yl-2,3,3a,4,5,9b-hexah…

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 6.1 -6.87 1 3 0 34 241.29 1 ↓

Analogs

4245200
4245200
4245201
4245201
4516854
4516854
4516855
4516855
4619821
4619821

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl-(2-thienyl)BLAH ethyl-(2-thienyl)BLAH

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) 4.42 -1.98 -4.66 1 2 0 21 285.412 2 ↓

Analogs

4245200
4245200
4245201
4245201
4516854
4516854
4516855
4516855
4619821
4619821

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl-(2-thienyl)BLAH ethyl-(2-thienyl)BLAH

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) 4.42 -1.4 -5.04 1 2 0 21 285.412 2 ↓

Analogs

4167923
4167923
13471433
13471433
377076
377076

Draw Identity 99% 90% 80% 70%

Popular Name: 8-Methyl-4-pyridin-4-yl-2,3,3a,4,5,9b-hexahydro-furo[3,2-c]quinoline 8-Methyl-4-pyridin-4-yl-2,3,3a,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) 2.77 6.94 -41.31 2 3 1 35 267.352 1 ↓
Mid Mid (pH 6-8) 2.77 6.48 -6.27 1 3 0 34 266.344 1 ↓

Analogs

13471433
13471433
377076
377076

Draw Identity 99% 90% 80% 70%

Popular Name: 8-Methyl-4-pyridin-4-yl-2,3,3a,4,5,9b-hexahydro-furo[3,2-c]quinoline 8-Methyl-4-pyridin-4-yl-2,3,3a,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) 2.77 6.37 -32.65 2 3 1 35 267.352 1 ↓
Mid Mid (pH 6-8) 2.77 5.91 -7 1 3 0 34 266.344 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3aS,4R,9bS)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol 3-[(3aS,4R,9bS)-2,3,3a,4,5,9b-he…

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) 2.62 2.92 -6.4 2 3 0 41 233.311 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3aS,4R,9bS)-8-fluoro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol 3-[(3aS,4R,9bS)-8-fluoro-2,3,3a,…

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) 2.76 2.98 -7.7 2 3 0 41 251.301 3 ↓

Parameters Provided:

ring.id = 246397
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 = 246397 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=246397&filter.purchasability=annotated

Embed Link to Results