UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(4S)-2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one 6-[(4S)-2-methyl-1,1-dioxo-3,4-d…

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) 0.76 2.94 -20.52 0 6 0 71 335.41 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(4R)-2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one 6-[(4R)-2-methyl-1,1-dioxo-3,4-d…

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) 0.76 4.04 -19.95 0 6 0 71 335.41 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(6-methoxypyrimidin-4-yl)-2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-amine (4S)-N-(6-methoxypyrimidin-4-yl)…

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) 0.98 0.54 -13.88 1 7 0 84 326.403 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-(6-methoxypyrimidin-4-yl)-2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-amine (4R)-N-(6-methoxypyrimidin-4-yl)…

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) 0.98 0.81 -14.51 1 7 0 84 326.403 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-methyl-4-(1,2,4-triazol-4-yl)-3,4-dihydrothieno[2,3-e]thiazine (4S)-2-methyl-4-(1,2,4-triazol-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) 0.04 4.56 -17.16 0 6 0 68 270.339 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-methyl-4-(1,2,4-triazol-4-yl)-3,4-dihydrothieno[2,3-e]thiazine (4R)-2-methyl-4-(1,2,4-triazol-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) 0.04 4.37 -18.23 0 6 0 68 270.339 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4S)-2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl]-1,4,5,6-tetrahydrocyclopenta[c]pyra N-[(4S)-2-methyl-1,1-dioxo-3,4-d…

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) 0.99 1.33 -16.69 2 7 0 95 352.441 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4R)-2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl]-1,4,5,6-tetrahydrocyclopenta[c]pyra N-[(4R)-2-methyl-1,1-dioxo-3,4-d…

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) 0.99 1.52 -16.66 2 7 0 95 352.441 2 ↓

Parameters Provided:

ring.id = 415491
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 = 415491 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=415491&filter.purchasability=annotated

Embed Link to Results