UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12442608
12442608
12442610
12442610

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-2-[(1-methylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f (2Z)-8-[(3R)-1,1-dioxothiolan-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) 2.96 6.64 -22.05 0 7 0 82 464.543 2 ↓

Analogs

12442608
12442608
12442610
12442610

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-2-[(1-methylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f (2Z)-8-[(3S)-1,1-dioxothiolan-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) 2.96 6.94 -22.95 0 7 0 82 464.543 2 ↓

Analogs

12442608
12442608
12442610
12442610

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3R)-1,1-dioxothiolan-3-yl]-2-[(1-ethylindol-3-yl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f] (2Z)-8-[(3R)-1,1-dioxothiolan-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) 3.34 7.57 -21.7 0 7 0 82 478.57 3 ↓

Analogs

12442608
12442608
12442610
12442610

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3S)-1,1-dioxothiolan-3-yl]-2-[(1-ethylindol-3-yl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f] (2Z)-8-[(3S)-1,1-dioxothiolan-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) 3.34 7.87 -22.68 0 7 0 82 478.57 3 ↓

Analogs

12442608
12442608
12442610
12442610

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3R)-1,1-dioxothiolan-3-yl]-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-4-methyl-7,9-dihydr (2Z)-8-[(3R)-1,1-dioxothiolan-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) 3.00 5.93 -24.29 0 8 0 91 494.569 3 ↓

Analogs

12442608
12442608
12442610
12442610

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3S)-1,1-dioxothiolan-3-yl]-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-4-methyl-7,9-dihydr (2Z)-8-[(3S)-1,1-dioxothiolan-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) 3.00 6.24 -25.34 0 8 0 91 494.569 3 ↓

Analogs

12442608
12442608
12442610
12442610

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3R)-1,1-dioxothiolan-3-yl]-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-4-methyl-7,9-dihydro (2Z)-8-[(3R)-1,1-dioxothiolan-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) 3.37 6.84 -23.93 0 8 0 91 508.596 4 ↓

Analogs

12442608
12442608
12442610
12442610

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3S)-1,1-dioxothiolan-3-yl]-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-4-methyl-7,9-dihydro (2Z)-8-[(3S)-1,1-dioxothiolan-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) 3.37 7.15 -24.97 0 8 0 91 508.596 4 ↓

Analogs

12442587
12442587
12442585
12442585

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-[(3R)-1,1-dioxothiolan-3-yl]-2-[(1-methylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][1,3]ben (2E)-8-[(3R)-1,1-dioxothiolan-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) 2.58 5.81 -19.91 0 7 0 82 450.516 2 ↓

Analogs

12442587
12442587
12442585
12442585

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-[(3S)-1,1-dioxothiolan-3-yl]-2-[(1-methylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][1,3]ben (2E)-8-[(3S)-1,1-dioxothiolan-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) 2.58 6.12 -20.15 0 7 0 82 450.516 2 ↓

Analogs

12442585
12442585
12442587
12442587

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-[(3R)-1,1-dioxothiolan-3-yl]-2-[(1-ethylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benz (2E)-8-[(3R)-1,1-dioxothiolan-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) 2.96 6.74 -19.64 0 7 0 82 464.543 3 ↓

Analogs

12442585
12442585
12442587
12442587

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-[(3S)-1,1-dioxothiolan-3-yl]-2-[(1-ethylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benz (2E)-8-[(3S)-1,1-dioxothiolan-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) 2.96 7.05 -19.86 0 7 0 82 464.543 3 ↓

Analogs

12442587
12442587
12442585
12442585

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-[(3R)-1,1-dioxothiolan-3-yl]-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7,9-dihydrofuro[2,3 (2E)-8-[(3R)-1,1-dioxothiolan-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) 2.62 5.1 -21.09 0 8 0 91 480.542 3 ↓

Analogs

12442587
12442587
12442585
12442585

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-[(3S)-1,1-dioxothiolan-3-yl]-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7,9-dihydrofuro[2,3 (2E)-8-[(3S)-1,1-dioxothiolan-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) 2.62 5.41 -21.3 0 8 0 91 480.542 3 ↓

Analogs

12442587
12442587
12442585
12442585

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3R)-1,1-dioxothiolan-3-yl]-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-7,9-dihydrofuro[2,3- (2Z)-8-[(3R)-1,1-dioxothiolan-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) 2.99 6.2 -24.15 0 8 0 91 494.569 4 ↓

Analogs

12442587
12442587
12442585
12442585

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[(3S)-1,1-dioxothiolan-3-yl]-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-7,9-dihydrofuro[2,3- (2Z)-8-[(3S)-1,1-dioxothiolan-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) 2.99 6.51 -25.14 0 8 0 91 494.569 4 ↓

Parameters Provided:

ring.id = 561872
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 = 561872 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=561872&filter.purchasability=annotated

Embed Link to Results