UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(benzenesulfonyl)-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline 1-(benzenesulfonyl)-6-methoxy-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) 3.30 -3.55 -16.23 0 5 0 60 340.404 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)sulfonyl-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline 1-(4-fluorophenyl)sulfonyl-6-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) 3.46 -2.81 -14.56 0 5 0 60 358.394 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline 6-methoxy-1-(4-methoxyphenyl)sul…

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) 3.35 -3.53 -15.92 0 6 0 69 370.43 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)sulfonyl]benzoic 4-[(6-methoxy-2,3-dihydropyrrolo…

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) 3.21 -3.97 -57.55 0 7 -1 100 383.405 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(benzenesulfonyl)-8-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline 1-(benzenesulfonyl)-8-methoxy-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) 3.27 -3.48 -20.6 0 5 0 60 340.404 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)sulfonyl-8-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline 1-(4-fluorophenyl)sulfonyl-8-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) 3.44 -2.74 -18.36 0 5 0 60 358.394 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline 8-methoxy-1-(4-methoxyphenyl)sul…

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) 3.33 -3.46 -19.98 0 6 0 69 370.43 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(8-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)sulfonyl]benzoic 4-[(8-methoxy-2,3-dihydropyrrolo…

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) 3.18 -3.89 -62.45 0 7 -1 100 383.405 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(6-chloro-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)sulfonyl]benzoic 4-[(6-chloro-2,3-dihydropyrrolo[…

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) 3.83 -4.13 -56.37 0 6 -1 90 387.824 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(8-chloro-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)sulfonyl]benzoic 4-[(8-chloro-2,3-dihydropyrrolo[…

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) 3.80 -4.03 -61.16 0 6 -1 90 387.824 3 ↓

Parameters Provided:

ring.id = 81205
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 = 81205 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=81205&filter.purchasability=annotated

Embed Link to Results