UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-furylmethylamino)cinnoline-3-carbonitrile 4-(2-furylmethylamino)cinnoline-…

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) 2.37 4.57 -10.51 1 5 0 75 250.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-furylmethyl(methyl)amino]cinnoline-3-carbonitrile 4-[2-furylmethyl(methyl)amino]ci…

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) 2.61 7.26 -8.22 0 5 0 66 264.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(5-methyl-2-furyl)methylamino]cinnoline-3-carbonitrile 4-[(5-methyl-2-furyl)methylamino…

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) 2.59 5.39 -10.12 1 5 0 75 264.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-furylmethylamino)-6-methyl-cinnoline-3-carbonitrile 4-(2-furylmethylamino)-6-methyl-…

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) 2.79 5.22 -9.77 1 5 0 75 264.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-furylmethyl(methyl)amino]-6-methyl-cinnoline-3-carbonitrile 4-[2-furylmethyl(methyl)amino]-6…

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) 3.03 8.05 -8.95 0 5 0 66 278.315 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-4-[(5-methyl-2-furyl)methylamino]cinnoline-3-carbonitrile 6-methyl-4-[(5-methyl-2-furyl)me…

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) 3.01 6.05 -9.75 1 5 0 75 278.315 3 ↓

Parameters Provided:

ring.id = 544294
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 = 544294 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=544294&filter.purchasability=annotated

Embed Link to Results