UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,5-dimethylphenyl)methyl]-6-phenyl-pyridazin-3-one 2-[(3,5-dimethylphenyl)methyl]-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) 4.23 10.43 -9.38 0 3 0 35 290.366 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-methoxy-5-methyl-phenyl)methyl]-6-phenyl-pyridazin-3-one 2-[(2-methoxy-5-methyl-phenyl)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) 3.84 9.2 -10.22 0 4 0 44 306.365 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[1-[(4-chlorophenyl)methyl]-6-oxo-pyridazin-3-yl]-N,N-diethyl-2-methyl-benzenesulfonamide 5-[1-[(4-chlorophenyl)methyl]-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) 4.53 9.84 -16.12 0 6 0 72 445.972 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 4.40 10.79 -11.57 0 5 0 61 388.345 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[6-oxo-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]methyl]benzonitrile 2-[[6-oxo-3-phenyl-5-(trifluorom…

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) 3.94 10.37 -9.9 0 4 0 59 355.319 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[3-(4-fluorophenyl)-6-oxo-pyridazin-1-yl]methyl]benzonitrile 4-[[3-(4-fluorophenyl)-6-oxo-pyr…

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) 3.32 9.56 -11.53 0 4 0 59 305.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-(4-chlorobenzyl)-6-phenyl-3(2H)-pyridazinone 5-chloro-2-(4-chlorobenzyl)-6-ph…

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) 4.69 9.94 -5.85 0 3 0 35 331.202 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-fluorophenyl)-6-oxo-pyridazin-1-yl]methyl]benzonitrile 2-[[3-(4-fluorophenyl)-6-oxo-pyr…

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) 3.28 9.39 -11.31 0 4 0 59 305.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[3-(3-methoxyphenyl)-6-oxo-pyridazin-1-yl]methyl]benzonitrile 4-[[3-(3-methoxyphenyl)-6-oxo-py…

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) 3.19 8.77 -12 0 5 0 68 317.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-chlorophenyl)methyl]-6-(2-fluoro-4-methoxy-phenyl)pyridazin-3-one 2-[(4-chlorophenyl)methyl]-6-(2-…

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) 4.23 9.07 -11.61 0 4 0 44 344.773 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-bromophenyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one 6-(4-bromophenyl)-2-[(4-methoxyp…

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) 4.27 9.03 -10.39 0 4 0 44 371.234 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-chlorophenyl)methyl]-6-(2-fluorophenyl)pyridazin-3-one 2-[(4-chlorophenyl)methyl]-6-(2-…

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) 4.20 9.78 -10.4 0 3 0 35 314.747 3 ↓

Parameters Provided:

ring.id = 32439
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 = 32439 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=32439&filter.purchasability=annotated

Embed Link to Results