Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_c3ktumngchcv5d9ba9a8obias4, 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-chloro-6-cyclopentylsulfanyl-pyridazine 3-chloro-6-cyclopentylsulfanyl-p…

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) 3.54 6.04 -5.38 0 2 0 26 214.721 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-cyclopentylsulfanylpyridazine-3-carboxylic 6-cyclopentylsulfanylpyridazine-…

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) 2.17 6.14 -47.74 0 4 -1 66 223.277 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclopentylsulfanyl-5,6-dimethyl-pyridazine-4-carboxamidine 3-cyclopentylsulfanyl-5,6-dimeth…

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) 1.66 3.99 -35.88 4 4 1 77 251.379 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-cyclopentylsulfanyl-5,6-dimethyl-pyridazin-4-yl)methanamine (3-cyclopentylsulfanyl-5,6-dimet…

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 4.17 -6.84 2 3 0 52 237.372 3 ↓
Mid Mid (pH 6-8) 2.45 4.6 -50.3 3 3 1 53 238.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclopentylsulfanyl-5,6-dimethyl-pyridazine-4-carboxylic 3-cyclopentylsulfanyl-5,6-dimeth…

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 7.31 -50.54 0 4 -1 66 251.331 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclopentylsulfanyl-5,6-dimethyl-pyridazine-4-carbonitrile 3-cyclopentylsulfanyl-5,6-dimeth…

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 6.93 -6.84 0 3 0 50 233.34 2 ↓

Parameters Provided:

ring.id = 190493
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 = 190493 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=190493&filter.purchasability=annotated

Embed Link to Results