Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_p25dtn2ct4v2hmvf93gbcumci3, 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: (3,6-dichloro-2-pyridyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (3,6-dichloro-2-pyridyl)-(1,3,4,…

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) 4.15 9.44 -8.02 0 3 0 33 321.207 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chloro-2-pyridyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (4-chloro-2-pyridyl)-(1,3,4,5-te…

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) 3.13 9.13 -8.9 0 3 0 33 286.762 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-chloro-2-pyridyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (6-chloro-2-pyridyl)-(1,3,4,5-te…

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) 3.13 8.94 -8.15 0 3 0 33 286.762 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-bromo-2-pyridyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (5-bromo-2-pyridyl)-(1,3,4,5-tet…

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) 3.09 9.23 -6.7 0 3 0 33 331.213 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-hydroxy-2-pyridyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (3-hydroxy-2-pyridyl)-(1,3,4,5-t…

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) 2.23 8.16 -53.69 0 4 -1 56 267.308 1 ↓
Mid Mid (pH 6-8) 2.23 5.87 -28.69 1 4 0 58 268.316 1 ↓
Mid Mid (pH 6-8) 2.23 7.15 -11.11 1 4 0 53 268.316 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(methylamino)-2-pyridyl]-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone [4-(methylamino)-2-pyridyl]-(1,3…

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) 2.31 7.4 -9.48 1 4 0 45 281.359 2 ↓
Mid Mid (pH 6-8) 2.31 7.42 -32.19 2 4 1 46 282.367 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-amino-2-pyridyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (6-amino-2-pyridyl)-(1,3,4,5-tet…

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) 1.94 7.4 -9.41 2 4 0 59 267.332 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-(methylamino)-2-pyridyl]-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone [6-(methylamino)-2-pyridyl]-(1,3…

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) 2.31 8.45 -9.06 1 4 0 45 281.359 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-amino-3-chloro-2-pyridyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (6-amino-3-chloro-2-pyridyl)-(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) 2.96 7.93 -10.1 2 4 0 59 301.777 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-2-pyridyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (4-amino-2-pyridyl)-(1,3,4,5-tet…

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) 1.53 6.52 -9.71 2 4 0 59 267.332 1 ↓
Mid Mid (pH 6-8) 1.53 6.51 -33.51 3 4 1 60 268.34 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-hydrazino-2-pyridyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (4-hydrazino-2-pyridyl)-(1,3,4,5…

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) 1.70 6.31 -9.5 3 5 0 71 282.347 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-hydrazino-2-pyridyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (6-hydrazino-2-pyridyl)-(1,3,4,5…

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) 1.70 7.12 -9.87 3 5 0 71 282.347 2 ↓

Parameters Provided:

ring.id = 315023
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 = 315023 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=315023&filter.purchasability=annotated

Embed Link to Results