UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-furyl)ethyl]pyridazin-3-amine N-[2-(2-furyl)ethyl]pyridazin-3-…

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) 1.25 4.04 -9.25 1 4 0 51 189.218 4 ↓
Mid Mid (pH 6-8) 1.25 4.22 -31.44 2 4 1 52 190.226 4 ↓
Mid Mid (pH 6-8) 1.25 4.21 -33.81 2 4 1 52 190.226 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(2-furyl)-1-methyl-ethyl]pyridazin-3-amine N-[(1S)-2-(2-furyl)-1-methyl-eth…

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) 1.58 4.81 -10.6 1 4 0 51 203.245 4 ↓
Mid Mid (pH 6-8) 1.58 4.99 -29.41 2 4 1 52 204.253 4 ↓
Mid Mid (pH 6-8) 1.58 4.99 -33.14 2 4 1 52 204.253 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(2-furyl)-1-methyl-ethyl]pyridazin-3-amine N-[(1R)-2-(2-furyl)-1-methyl-eth…

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) 1.58 4.83 -9.88 1 4 0 51 203.245 4 ↓
Mid Mid (pH 6-8) 1.58 5.01 -30.01 2 4 1 52 204.253 4 ↓
Mid Mid (pH 6-8) 1.58 5.01 -32.96 2 4 1 52 204.253 4 ↓

Parameters Provided:

ring.id = 25726
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 = 25726 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=25726&filter.purchasability=annotated

Embed Link to Results