UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

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

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 4.85 -8.27 1 3 0 38 205.286 4 ↓
Mid Mid (pH 6-8) 1.58 5.01 -33.01 2 3 1 39 206.294 4 ↓
Mid Mid (pH 6-8) 1.58 5.03 -30.74 2 3 1 39 206.294 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.91 5.7 -8.94 1 3 0 38 219.313 4 ↓
Mid Mid (pH 6-8) 1.91 5.87 -29.77 2 3 1 39 220.321 4 ↓
Mid Mid (pH 6-8) 1.91 5.87 -32.47 2 3 1 39 220.321 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.91 5.69 -8.97 1 3 0 38 219.313 4 ↓
Mid Mid (pH 6-8) 1.91 5.87 -29.83 2 3 1 39 220.321 4 ↓
Mid Mid (pH 6-8) 1.91 5.86 -32.38 2 3 1 39 220.321 4 ↓

Parameters Provided:

ring.id = 25784
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 = 25784 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=25784&filter.purchasability=annotated

Embed Link to Results