Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_uogc34r9t00fmqbuc3onuisu67, 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

7150051
7150051
8776655
8776655

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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 2.11 -11.03 0 6 0 83 361.467 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanylpyridine-4-carboxylic 2-[(1S)-2-(azepan-1-yl)-1-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) 2.63 8.67 -51.17 0 5 -1 73 307.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanylpyridine-4-carboxylic 2-[(1R)-2-(azepan-1-yl)-1-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) 2.63 8.74 -51.38 0 5 -1 73 307.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylpyridine-4-carboxylic 2-[2-(azepan-1-yl)-2-oxo-ethyl]s…

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) 2.26 7.88 -50.46 0 5 -1 73 293.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3-amino-2-pyridyl)sulfanyl]-1-(azepan-1-yl)propan-1-one (2S)-2-[(3-amino-2-pyridyl)sulfa…

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) 2.20 6.07 -9.38 2 4 0 59 279.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3-amino-2-pyridyl)sulfanyl]-1-(azepan-1-yl)propan-1-one (2R)-2-[(3-amino-2-pyridyl)sulfa…

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) 2.20 6.12 -9.57 2 4 0 59 279.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-1-(azepan-1-yl)ethanone 2-[(3-amino-2-pyridyl)sulfanyl]-…

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) 1.84 5.28 -9.32 2 4 0 59 265.382 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(5-amino-2-pyridyl)sulfanyl]-1-(azepan-1-yl)propan-1-one (2S)-2-[(5-amino-2-pyridyl)sulfa…

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 6 -10.08 2 4 0 59 279.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(5-amino-2-pyridyl)sulfanyl]-1-(azepan-1-yl)propan-1-one (2R)-2-[(5-amino-2-pyridyl)sulfa…

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 6.07 -10.18 2 4 0 59 279.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-amino-2-pyridyl)sulfanyl]-1-(azepan-1-yl)ethanone 2-[(5-amino-2-pyridyl)sulfanyl]-…

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) 2.05 5.21 -9.88 2 4 0 59 265.382 3 ↓

Analogs

217942
217942

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic 6-[2-(azepan-1-yl)-2-oxo-ethyl]s…

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 7.87 -46.25 0 5 -1 73 293.368 4 ↓

Analogs

34937319
34937319
34937320
34937320

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanylpyridine-3-carboxylic 6-[(1S)-2-(azepan-1-yl)-1-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) 2.34 8.65 -46.26 0 5 -1 73 307.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanylpyridine-3-carboxylic 6-[(1R)-2-(azepan-1-yl)-1-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) 2.34 8.72 -46.39 0 5 -1 73 307.395 4 ↓

Parameters Provided:

ring.id = 4947
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 = 4947 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=4947&filter.purchasability=annotated

Embed Link to Results