Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_6akot89mrdjfqloa466g1cngp3, 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: N-[(4-methoxyphenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl)-4-oxo-butanami N-[(4-methoxyphenyl)methyl]-4-(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) 0.72 6.79 -16.52 1 7 0 76 356.426 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl)-N-(m-tolylmethyl)-4-oxo-butanamide 4-(2-methyl-6,7-dihydro-5H-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) 1.09 8.13 -15.06 1 6 0 67 340.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-methoxyphenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl)-4-oxo-butanami N-[(2-methoxyphenyl)methyl]-4-(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) 0.67 6.85 -16.3 1 7 0 76 356.426 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-methoxyphenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl)-4-oxo-butanami N-[(3-methoxyphenyl)methyl]-4-(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) 0.70 6.79 -16.52 1 7 0 76 356.426 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-ethoxyphenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl)-4-oxo-butanamid N-[(2-ethoxyphenyl)methyl]-4-(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) 1.05 7.78 -16.1 1 7 0 76 370.453 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,3-dimethoxyphenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl)-4-oxo-buta N-[(2,3-dimethoxyphenyl)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) 0.48 6.76 -17.71 1 8 0 86 386.452 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-ethoxyphenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl)-4-oxo-butanamid N-[(4-ethoxyphenyl)methyl]-4-(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) 1.10 7.71 -16.32 1 7 0 76 370.453 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl)-4-oxo N-[(5-bromo-2-methoxy-phenyl)met…

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) 1.46 7.47 -16.05 1 7 0 76 435.322 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl)-N-(o-tolylmethyl)-4-oxo-butanamide 4-(2-methyl-6,7-dihydro-5H-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) 1.06 8.15 -14.93 1 6 0 67 340.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-isopropoxyphenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl)-4-oxo-butan N-[(4-isopropoxyphenyl)methyl]-4…

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) 1.46 8.32 -16.29 1 7 0 76 384.48 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-fluorophenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl)-4-oxo-butanamid N-[(3-fluorophenyl)methyl]-4-(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) 0.80 7.54 -16.19 1 6 0 67 344.39 5 ↓

Parameters Provided:

ring.id = 87396
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 = 87396 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=87396&filter.purchasability=annotated

Embed Link to Results