Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_56hibktk6itpc368eun7ej9021, 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: 2-(3-pyridylmethylsulfanyl)pyridine-4-carboxylic 2-(3-pyridylmethylsulfanyl)pyrid…

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) 1.86 6.57 -46.93 0 4 -1 66 245.283 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-chloro-3-pyridyl)methylsulfanyl]pyridine-4-carboxylic 2-[(6-chloro-3-pyridyl)methylsul…

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) 2.88 6.99 -46.49 0 4 -1 66 279.728 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dichloro-6-methyl-3-pyridyl)methylsulfanyl]pyridine-4-carboxylic 2-[(2,4-dichloro-6-methyl-3-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) 3.87 7.98 -47.33 0 4 -1 66 328.2 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[(5-chloro-2-pyridyl)sulfanylmethyl]pyridine 2-chloro-5-[(5-chloro-2-pyridyl)…

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) 3.86 6.92 -5.48 0 2 0 26 271.172 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-[(6-chloro-3-pyridyl)methylsulfanyl]pyridine 5-bromo-2-[(6-chloro-3-pyridyl)m…

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) 3.99 7.03 -5.38 0 2 0 26 315.623 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dichloro-6-methyl-3-pyridyl)methylsulfanyl]pyridin-3-amine 2-[(2,4-dichloro-6-methyl-3-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) 3.44 5.38 -7.42 2 3 0 52 300.214 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-chloro-3-pyridyl)methylsulfanyl]pyridin-3-amine 2-[(6-chloro-3-pyridyl)methylsul…

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) 2.45 4.39 -6.9 2 3 0 52 251.742 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-pyridylmethylsulfanyl)pyridin-3-amine 2-(3-pyridylmethylsulfanyl)pyrid…

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) 1.43 3.96 -7.02 2 3 0 52 217.297 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2,4-dichloro-6-methyl-3-pyridyl)methylsulfanyl]pyridin-3-amine 6-[(2,4-dichloro-6-methyl-3-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) 3.66 5.3 -7.59 2 3 0 52 300.214 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(6-chloro-3-pyridyl)methylsulfanyl]pyridin-3-amine 6-[(6-chloro-3-pyridyl)methylsul…

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) 2.67 4.32 -7.09 2 3 0 52 251.742 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3-pyridylmethylsulfanyl)pyridin-3-amine 6-(3-pyridylmethylsulfanyl)pyrid…

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) 1.65 3.89 -7.26 2 3 0 52 217.297 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethyl-2-(3-pyridylmethylsulfanyl)pyridine-3-carboxylic 4,6-dimethyl-2-(3-pyridylmethyls…

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) 2.33 7.84 -56.23 0 4 -1 66 273.337 4 ↓

Analogs

481427
481427

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3-pyridylmethylsulfanyl)pyridine-3-carboxylic 6-(3-pyridylmethylsulfanyl)pyrid…

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) 1.57 6.56 -45.4 0 4 -1 66 245.283 4 ↓

Analogs

481427
481427

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(6-chloro-3-pyridyl)methylsulfanyl]pyridine-3-carboxylic 6-[(6-chloro-3-pyridyl)methylsul…

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) 2.59 6.98 -44.86 0 4 -1 66 279.728 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2,4-dichloro-6-methyl-3-pyridyl)methylsulfanyl]pyridine-3-carboxylic 6-[(2,4-dichloro-6-methyl-3-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) 3.58 7.96 -46.05 0 4 -1 66 328.2 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-nitro-2-[(1S)-1-(3-pyridyl)ethyl]sulfanyl-pyridine 3-nitro-2-[(1S)-1-(3-pyridyl)eth…

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 7.43 -11.55 0 5 0 72 261.306 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-nitro-2-[(1R)-1-(3-pyridyl)ethyl]sulfanyl-pyridine 3-nitro-2-[(1R)-1-(3-pyridyl)eth…

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 7.43 -11.52 0 5 0 72 261.306 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-chloro-3-pyridyl)methylsulfanyl]-3-nitro-pyridine 2-[(6-chloro-3-pyridyl)methylsul…

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) 2.93 7 -11.61 0 5 0 72 281.724 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-chloro-3-pyridyl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carboxylic 2-[(6-chloro-3-pyridyl)methylsul…

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) 3.35 8.26 -54.44 0 4 -1 66 307.782 4 ↓
Lo Low (pH 4.5-6) 3.35 8.62 -51.57 1 4 0 67 308.79 4 ↓

Parameters Provided:

ring.id = 519681
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 = 519681 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=519681&filter.purchasability=annotated

Embed Link to Results