Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_j63suvirn1hip4lod8jn2jvuh3, 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-[(3R)-1,1-dioxothian-3-yl]-5,6-dimethyl-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(3R)-1,1-dioxothian-3-yl]-5,6…

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) 1.19 5.04 -16.76 1 5 0 72 344.483 1 ↓
Hi High (pH 8-9.5) 1.64 4.09 -43.38 0 5 -1 75 343.475 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-1,1-dioxothian-3-yl]-5,6-dimethyl-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(3S)-1,1-dioxothian-3-yl]-5,6…

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) 1.19 5.04 -16.76 1 5 0 72 344.483 1 ↓
Hi High (pH 8-9.5) 1.64 4.09 -43.43 0 5 -1 75 343.475 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-1,1-dioxothian-3-yl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(3R)-1,1-dioxothian-3-yl]-2-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) 0.59 3.64 -17.9 1 5 0 72 316.429 1 ↓
Mid Mid (pH 6-8) 1.05 2.56 -42.75 0 5 -1 75 315.421 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-1,1-dioxothian-3-yl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(3S)-1,1-dioxothian-3-yl]-2-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) 0.59 3.63 -17.91 1 5 0 72 316.429 1 ↓
Mid Mid (pH 6-8) 1.05 2.56 -42.74 0 5 -1 75 315.421 1 ↓

Parameters Provided:

ring.id = 290480
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 = 290480 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=290480&filter.purchasability=annotated

Embed Link to Results