UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39553579
39553579
39553592
39553592
39553803
39553803
39553805
39553805
39553838
39553838

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-4,5-dimethyl-N-[4-(3-methylbutanoylamino)phenyl]thieno[4,5-e]pyrimidine-6-carboxamide 2-cyclopropyl-4,5-dimethyl-N-[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) 4.31 9.65 -12.76 2 6 0 84 422.554 6 ↓

Analogs

25432989
25432989
25529173
25529173
39548834
39548834
39553583
39553583
39553588
39553588

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-acetamido-4-methoxy-phenyl)-2-cyclopropyl-4,5-dimethyl-thieno[4,5-e]pyrimidine-6-carboxamide N-(3-acetamido-4-methoxy-phenyl)…

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 6.86 -13.55 2 7 0 93 410.499 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-(4,5-dimethoxy-2-methyl-phenyl)-4,5-dimethyl-thieno[4,5-e]pyrimidine-6-carboxamide 2-cyclopropyl-N-(4,5-dimethoxy-2…

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) 3.50 8.72 -13.62 1 6 0 73 397.5 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-(4-methanesulfonamidophenyl)-4,5-dimethyl-thieno[4,5-e]pyrimidine-6-carboxamide 2-cyclopropyl-N-(4-methanesulfon…

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) 2.71 5.45 -19.53 2 7 0 101 416.528 5 ↓
Hi High (pH 8-9.5) 2.71 5.53 -45.95 1 7 -1 103 415.52 5 ↓

Parameters Provided:

ring.id = 111885
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 = 111885 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=111885&filter.purchasability=annotated

Embed Link to Results