Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_c3hlg5qmlepvvu66ovi42l92b3, 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: 1-[2-(4-fluoroanilino)ethyl]-4,6-dimethyl-pyrimidin-2-one 1-[2-(4-fluoroanilino)ethyl]-4,6…

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) 2.03 5.13 -18.95 1 4 0 47 261.3 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2-bromoanilino)ethyl]-4,6-dimethyl-pyrimidin-2-one 1-[2-(2-bromoanilino)ethyl]-4,6-…

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) 2.63 5.78 -17.61 1 4 0 47 322.206 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2-chloroanilino)ethyl]-4,6-dimethyl-pyrimidin-2-one 1-[2-(2-chloroanilino)ethyl]-4,6…

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) 2.50 5.66 -17.63 1 4 0 47 277.755 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethyl-1-[2-(3-methylanilino)ethyl]pyrimidin-2-one 4,6-dimethyl-1-[2-(3-methylanili…

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) 2.29 5.74 -18.21 1 4 0 47 257.337 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethyl-1-[2-(4-methylanilino)ethyl]pyrimidin-2-one 4,6-dimethyl-1-[2-(4-methylanili…

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) 2.32 5.75 -18.18 1 4 0 47 257.337 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-chloroanilino)ethyl]-4,6-dimethyl-pyrimidin-2-one 1-[2-(4-chloroanilino)ethyl]-4,6…

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) 2.55 5.58 -18.26 1 4 0 47 277.755 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2-fluoroanilino)ethyl]-4,6-dimethyl-pyrimidin-2-one 1-[2-(2-fluoroanilino)ethyl]-4,6…

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) 1.98 5.15 -18.32 1 4 0 47 261.3 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(3-chloroanilino)ethyl]-4,6-dimethyl-pyrimidin-2-one 1-[2-(3-chloroanilino)ethyl]-4,6…

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) 2.52 5.58 -17.98 1 4 0 47 277.755 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(3-fluoroanilino)ethyl]-4,6-dimethyl-pyrimidin-2-one 1-[2-(3-fluoroanilino)ethyl]-4,6…

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) 2.01 5.13 -18.48 1 4 0 47 261.3 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(3-bromoanilino)ethyl]-4,6-dimethyl-pyrimidin-2-one 1-[2-(3-bromoanilino)ethyl]-4,6-…

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) 2.65 5.69 -17.88 1 4 0 47 322.206 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethyl-1-[2-(2-methylanilino)ethyl]pyrimidin-2-one 4,6-dimethyl-1-[2-(2-methylanili…

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) 2.27 5.87 -18.27 1 4 0 47 257.337 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-bromoanilino)ethyl]-4,6-dimethyl-pyrimidin-2-one 1-[2-(4-bromoanilino)ethyl]-4,6-…

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) 2.68 5.69 -18.25 1 4 0 47 322.206 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-anilinoethyl)-4,6-dimethyl-pyrimidin-2-one 1-(2-anilinoethyl)-4,6-dimethyl-…

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) 1.87 5.06 -18.24 1 4 0 47 243.31 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2-bromoanilino)ethyl]pyrimidin-2-one 1-[2-(2-bromoanilino)ethyl]pyrim…

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 4.73 -18.39 1 4 0 47 294.152 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2-fluoroanilino)ethyl]pyrimidin-2-one 1-[2-(2-fluoroanilino)ethyl]pyri…

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) 1.00 4.1 -19.17 1 4 0 47 233.246 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(3-chloroanilino)ethyl]pyrimidin-2-one 1-[2-(3-chloroanilino)ethyl]pyri…

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) 1.54 4.52 -19.63 1 4 0 47 249.701 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(3-fluoroanilino)ethyl]pyrimidin-2-one 1-[2-(3-fluoroanilino)ethyl]pyri…

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) 1.02 4.08 -20.41 1 4 0 47 233.246 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2-methylanilino)ethyl]pyrimidin-2-one 1-[2-(2-methylanilino)ethyl]pyri…

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 4.81 -19.1 1 4 0 47 229.283 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-bromoanilino)ethyl]pyrimidin-2-one 1-[2-(4-bromoanilino)ethyl]pyrim…

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) 1.69 4.64 -19.14 1 4 0 47 294.152 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-anilinoethyl)pyrimidin-2-one 1-(2-anilinoethyl)pyrimidin-2-one

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) 0.88 4.01 -18.99 1 4 0 47 215.256 4 ↓

Parameters Provided:

ring.id = 69364
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 = 69364 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=69364&filter.purchasability=annotated

Embed Link to Results