UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-morpholinoethylamino)-2-oxo-ethyl]furan-2-carboxamide N-[2-(2-morpholinoethylamino)-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) -0.13 -1.42 -11.81 2 7 0 84 281.312 6 ↓
Mid Mid (pH 6-8) -0.13 0.86 -47.73 3 7 1 85 282.32 6 ↓

Analogs

31929638
31929638
31929640
31929640

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[2-[[(2S)-3-ethyl-2-morpholino-pentyl]amino]-2-oxo-ethyl]furan-2-carboxamide 5-bromo-N-[2-[[(2S)-3-ethyl-2-mo…

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) 2.92 4.46 -10.76 2 7 0 84 430.343 9 ↓
Mid Mid (pH 6-8) 2.92 5.12 -45.37 3 7 1 85 431.351 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[2-[[(2R)-3-ethyl-2-morpholino-pentyl]amino]-2-oxo-ethyl]furan-2-carboxamide 5-bromo-N-[2-[[(2R)-3-ethyl-2-mo…

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) 2.92 5.41 -8.81 2 7 0 84 430.343 9 ↓
Mid Mid (pH 6-8) 2.92 5.82 -42.18 3 7 1 85 431.351 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-methyl-1-[(2-methyl-2-morpholino-propyl)carbamoyl]propyl]furan-2-carboxamide N-[(1R)-2-methyl-1-[(2-methyl-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) 1.29 2.32 -8.77 2 7 0 84 351.447 7 ↓
Mid Mid (pH 6-8) 1.29 4.28 -43.52 3 7 1 85 352.455 7 ↓

Parameters Provided:

ring.id = 50254
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 = 50254 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=50254&filter.purchasability=annotated

Embed Link to Results