Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_95h54150s1gj1n1ndf5t9pj5k5, 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: 3-[2-(4-fluoroanilino)ethyl]-1,2,3-benzotriazin-4-one 3-[2-(4-fluoroanilino)ethyl]-1,2…

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) 2.56 5.33 -10.31 1 5 0 60 284.294 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 3.15 5.98 -9.16 1 5 0 60 345.2 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 3.02 5.85 -9.23 1 5 0 60 300.749 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(3-methylanilino)ethyl]-1,2,3-benzotriazin-4-one 3-[2-(3-methylanilino)ethyl]-1,2…

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) 2.82 5.92 -9.98 1 5 0 60 280.331 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(4-methylanilino)ethyl]-1,2,3-benzotriazin-4-one 3-[2-(4-methylanilino)ethyl]-1,2…

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) 2.84 5.93 -9.92 1 5 0 60 280.331 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 3.07 5.78 -9.61 1 5 0 60 300.749 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 2.51 5.35 -9.9 1 5 0 60 284.294 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 3.05 5.78 -9.3 1 5 0 60 300.749 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 2.53 5.32 -9.86 1 5 0 60 284.294 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 3.18 5.88 -9.28 1 5 0 60 345.2 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(2-methylanilino)ethyl]-1,2,3-benzotriazin-4-one 3-[2-(2-methylanilino)ethyl]-1,2…

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) 2.79 6.06 -9.89 1 5 0 60 280.331 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 3.20 5.88 -9.59 1 5 0 60 345.2 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-anilinoethyl)-1,2,3-benzotriazin-4-one 3-(2-anilinoethyl)-1,2,3-benzotr…

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) 2.39 5.26 -9.84 1 5 0 60 266.304 4 ↓

Parameters Provided:

ring.id = 74595
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 = 74595 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=74595&filter.purchasability=annotated

Embed Link to Results