UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2R)-2-cyclohexylpyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one 6-[(2R)-2-cyclohexylpyrrolidine-…

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) 2.01 7.62 -8.49 0 5 0 53 291.395 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2S)-2-cyclohexylpyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one 6-[(2S)-2-cyclohexylpyrrolidine-…

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) 2.01 7.58 -8.41 0 5 0 53 291.395 2 ↓

Analogs

35132802
35132802
35132803
35132803
35132791
35132791
35132790
35132790

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-cyclohexylpyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one 3-[(2S)-2-cyclohexylpyrrolidine-…

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) 1.76 5.98 -8 1 5 0 62 277.368 2 ↓

Analogs

35132802
35132802
35132803
35132803
35132791
35132791
35132790
35132790

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-2-cyclohexylpyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one 3-[(2R)-2-cyclohexylpyrrolidine-…

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) 1.76 6.01 -8.04 1 5 0 62 277.368 2 ↓

Parameters Provided:

ring.id = 428653
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 = 428653 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=428653&filter.purchasability=annotated

Embed Link to Results