UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2-furyl)-4-oxo-chromen-3-yl]oxy-N-(3-methoxypropyl)acetamide 2-[2-(2-furyl)-4-oxo-chromen-3-y…

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) 2.23 0.91 -20.31 1 7 0 91 357.362 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-carbamoyl-2-[2-(2-furyl)-7-methyl-4-oxo-chromen-3-yl]oxy-acetamide N-carbamoyl-2-[2-(2-furyl)-7-met…

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) 1.67 -0.39 -27.82 3 8 0 125 342.307 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-chloro-2-(2-furyl)-4-oxo-chromen-3-yl] [6-chloro-2-(2-furyl)-4-oxo-chro…

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) 2.89 -0.95 -15.5 0 6 0 87 340.74 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-bromo-2-furyl)-6,8-dimethyl-chromone 2-(5-bromo-2-furyl)-6,8-dimethyl…

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) 4.61 2.19 -10.16 0 3 0 43 319.154 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-furyl)-3-hydroxy-6,8-dimethyl-chromone 2-(2-furyl)-3-hydroxy-6,8-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) 3.39 2.1 -13.07 1 4 0 63 256.257 1 ↓

Analogs

1951754
1951754
1951756
1951756
1951777
1951777
1951779
1951779
1287495
1287495

Draw Identity 99% 90% 80% 70%

Popular Name: propionic-acid-[2-(2-furyl)-4-keto-chromen-3-yl]-ester propionic-acid-[2-(2-furyl)-4-ke…

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) 3.03 4.53 -19.77 0 5 0 69 284.267 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-furyl)-6-(2-isopropoxyethoxy)chromone 2-(2-furyl)-6-(2-isopropoxyethox…

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 7.72 -15.62 0 5 0 62 314.337 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-furyl)-3-methoxy-chromone 2-(2-furyl)-3-methoxy-chromone

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) 2.86 3.4 -13.88 0 4 0 53 242.23 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2-furyl)-4-keto-chromen-3-yl]oxyacetonitrile 2-[2-(2-furyl)-4-keto-chromen-3-…

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) 2.65 4.46 -13.88 0 5 0 76 267.24 3 ↓

Analogs

1951929
1951929
1951934
1951934
1951936
1951936

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2-furyl)-4-keto-chromen-3-yl]oxyacetic-acid-methyl-ester 2-[2-(2-furyl)-4-keto-chromen-3-…

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) 2.73 4.38 -17.28 0 6 0 78 300.266 5 ↓

Analogs

1951923
1951923
1951925
1951925
1951927
1951927
1951929
1951929
1951934
1951934

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2-furyl)-4-keto-chromen-3-yl]oxyacetic-acid-ethyl-ester 2-[2-(2-furyl)-4-keto-chromen-3-…

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) 3.10 4.35 -17.09 0 6 0 78 314.293 6 ↓

Analogs

1951923
1951923
1951927
1951927
1951931
1951931
1951935
1951935
1951938
1951938

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2-furyl)-4-keto-chromen-3-yl]oxyacetic-acid-propyl-ester 2-[2-(2-furyl)-4-keto-chromen-3-…

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) 3.60 4.42 -16.81 0 6 0 78 328.32 7 ↓

Parameters Provided:

ring.id = 66011
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 = 66011 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=66011&filter.purchasability=annotated

Embed Link to Results