UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12227993
12227993

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]aceta 2-(4-methyl-7-oxo-1-phenyl-pyraz…

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) 0.77 -1.96 -21 1 8 0 91 367.409 5 ↓

Analogs

12227985
12227985

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]aceta 2-(4-methyl-7-oxo-1-phenyl-pyraz…

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) 0.77 -1.87 -19.95 1 8 0 91 367.409 5 ↓

Analogs

12228141
12228141

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(3-chlorophenyl)-4-methyl-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-[[(2S)-tetrahydrofuran-2-yl]me 2-[1-(3-chlorophenyl)-4-methyl-7…

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) 1.64 -2.11 -21.51 1 8 0 91 401.854 5 ↓

Analogs

12228135
12228135

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(3-chlorophenyl)-4-methyl-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-[[(2R)-tetrahydrofuran-2-yl]me 2-[1-(3-chlorophenyl)-4-methyl-7…

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) 1.64 -2.01 -20.12 1 8 0 91 401.854 5 ↓

Analogs

12228392
12228392

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(4-fluorophenyl)-4-methyl-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-[[(2S)-tetrahydrofuran-2-yl]me 2-[1-(4-fluorophenyl)-4-methyl-7…

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) 0.94 -1.23 -19.09 1 8 0 91 385.399 5 ↓

Analogs

12228383
12228383

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(4-fluorophenyl)-4-methyl-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-[[(2R)-tetrahydrofuran-2-yl]me 2-[1-(4-fluorophenyl)-4-methyl-7…

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) 0.94 -1.13 -17.97 1 8 0 91 385.399 5 ↓

Analogs

12228582
12228582

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-methyl-1-(o-tolyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ac 2-[4-methyl-1-(o-tolyl)-7-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) 1.39 -1.53 -21.64 1 8 0 91 381.436 5 ↓

Analogs

12228575
12228575

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-methyl-1-(o-tolyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]ac 2-[4-methyl-1-(o-tolyl)-7-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) 1.39 -1.43 -20.51 1 8 0 91 381.436 5 ↓

Analogs

12228827
12228827

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(3,4-dimethylphenyl)-4-methyl-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-[[(2S)-tetrahydrofuran-2-y 2-[1-(3,4-dimethylphenyl)-4-meth…

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) 1.81 -1.35 -21.24 1 8 0 91 395.463 5 ↓

Analogs

12228822
12228822

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(3,4-dimethylphenyl)-4-methyl-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-[[(2R)-tetrahydrofuran-2-y 2-[1-(3,4-dimethylphenyl)-4-meth…

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) 1.81 -1.25 -20.11 1 8 0 91 395.463 5 ↓

Analogs

12228905
12228905

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-isopropyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ac 2-(4-isopropyl-7-oxo-1-phenyl-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) 1.83 -1.58 -19.91 1 8 0 91 395.463 6 ↓

Analogs

12228902
12228902

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-isopropyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]ac 2-(4-isopropyl-7-oxo-1-phenyl-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) 1.83 -1.56 -18.94 1 8 0 91 395.463 6 ↓

Analogs

12229089
12229089

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-isopropyl-1-(o-tolyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl 2-[4-isopropyl-1-(o-tolyl)-7-oxo…

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) 2.44 -1.14 -20.55 1 8 0 91 409.49 6 ↓

Analogs

12229085
12229085

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-isopropyl-1-(o-tolyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl 2-[4-isopropyl-1-(o-tolyl)-7-oxo…

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) 2.44 -1.05 -19.48 1 8 0 91 409.49 6 ↓

Parameters Provided:

ring.id = 95938
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 = 95938 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=95938&filter.purchasability=annotated

Embed Link to Results