Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_u19pmrk5k13aklnpjfgh9gqus1, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R,4R)-2,4-dimethylpiperidine-1-carbonyl]-2H-phthalazin-1-one 4-[(2R,4R)-2,4-dimethylpiperidin…

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) 2.34 5.5 -9.13 1 5 0 66 285.347 1 ↓
Hi High (pH 8-9.5) 2.80 4.2 -44.1 0 5 -1 69 284.339 1 ↓

Analogs

9155784
9155784
269705
269705

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(4-oxo-3H-phthalazin-1-yl)carbonyl]piperidine-4-carboxamide N-methyl-1-[(4-oxo-3H-phthalazin…

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) 0.74 -4.53 -15.02 2 7 0 95 314.345 2 ↓

Analogs

36165879
36165879
36165880
36165880
269686
269686
269688
269688
269708
269708

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-2H-phthalazin-1-one 4-[(2S,6R)-2,6-dimethylpiperidin…

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) 2.43 5.56 -9.45 1 5 0 66 285.347 1 ↓
Hi High (pH 8-9.5) 2.88 3.51 -50.21 0 5 -1 69 284.339 1 ↓

Analogs

36165880
36165880
36165877
36165877
269686
269686
269688
269688

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]-2H-phthalazin-1-one 4-[(2S,6S)-2,6-dimethylpiperidin…

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) 2.43 5.93 -7.46 1 5 0 66 285.347 1 ↓
Hi High (pH 8-9.5) 2.88 4.13 -45.01 0 5 -1 69 284.339 1 ↓

Analogs

36165877
36165877
36165879
36165879
269686
269686

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-2H-phthalazin-1-one 4-[(2R,6R)-2,6-dimethylpiperidin…

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) 2.43 5.96 -7.31 1 5 0 66 285.347 1 ↓
Hi High (pH 8-9.5) 2.88 4.15 -45.3 0 5 -1 69 284.339 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R)-2-ethylpiperidine-1-carbonyl]-2-methyl-phthalazin-1-one 4-[(2R)-2-ethylpiperidine-1-carb…

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) 2.70 7.57 -8.1 0 5 0 55 299.374 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S)-2-ethylpiperidine-1-carbonyl]-2-methyl-phthalazin-1-one 4-[(2S)-2-ethylpiperidine-1-carb…

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) 2.70 7.54 -8.5 0 5 0 55 299.374 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3R)-3-ethoxypiperidine-1-carbonyl]-2-isopropyl-phthalazin-1-one 4-[(3R)-3-ethoxypiperidine-1-car…

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) 2.42 7.9 -9.04 0 6 0 64 343.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3S)-3-ethoxypiperidine-1-carbonyl]-2-isopropyl-phthalazin-1-one 4-[(3S)-3-ethoxypiperidine-1-car…

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) 2.42 7.86 -9.24 0 6 0 64 343.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(dimethylamino)piperidine-1-carbonyl]-2H-phthalazin-1-one 4-[4-(dimethylamino)piperidine-1…

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) 1.28 5.79 -44.56 2 6 1 70 301.37 2 ↓
Mid Mid (pH 6-8) 1.74 4.03 -64.17 1 6 0 74 300.362 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(3-ethyl-4-oxo-phthalazine-1-carbonyl)-4-piperidyl]acetamide 2-[1-(3-ethyl-4-oxo-phthalazine-…

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) 1.26 4.67 -14.35 2 7 0 98 342.399 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(3-isopropyl-4-oxo-phthalazine-1-carbonyl)-4-piperidyl]acetamide 2-[1-(3-isopropyl-4-oxo-phthalaz…

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) 1.62 5.31 -14.33 2 7 0 98 356.426 4 ↓

Analogs

36163857
36163857
269702
269702
269689
269689

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-ethylpiperidine-1-carbonyl)-2H-phthalazin-1-one 4-(4-ethylpiperidine-1-carbonyl)…

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) 2.69 6.02 -7.98 1 5 0 66 285.347 2 ↓
Hi High (pH 8-9.5) 3.15 4.28 -44.63 0 5 -1 69 284.339 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-2-methyl-phthalazin-1-one 4-[4-hydroxy-4-(hydroxymethyl)pi…

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) 0.12 1.09 -10.26 2 7 0 96 317.345 2 ↓

Parameters Provided:

ring.id = 19374
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 = 19374 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=19374&filter.purchasability=annotated

Embed Link to Results