UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-6-(N-ethyl-3-methyl-anilino)indolin-2-one 5-amino-6-(N-ethyl-3-methyl-anil…

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 6.68 -7.44 3 4 0 58 281.359 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-amino-6-(N-ethyl-3-methyl-anilino)indolin-2-one (3R)-3-amino-6-(N-ethyl-3-methyl…

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) 1.00 5.51 -44.39 4 4 1 60 282.367 3 ↓
Hi High (pH 8-9.5) 1.00 5.2 -5.53 3 4 0 58 281.359 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-6-(N-ethyl-3-methyl-anilino)-3-hydroxy-indolin-2-one (3R)-6-(N-ethyl-3-methyl-anilino…

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) 2.69 4.92 -7.14 2 4 0 53 282.343 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-amino-2-oxo-indolin-6-yl)amino]-6-fluoro-benzonitrile 2-[(5-amino-2-oxo-indolin-6-yl)a…

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) 2.31 3.88 -12.08 4 5 0 91 282.278 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-6-[4-(dimethylamino)anilino]indolin-2-one 5-amino-6-[4-(dimethylamino)anil…

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) 2.59 3.82 -8.8 4 5 0 70 282.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-6-(4-methoxy-3-methyl-anilino)indolin-2-one 5-amino-6-(4-methoxy-3-methyl-an…

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 3.44 -9.23 4 5 0 76 283.331 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-6-(2-propylanilino)indolin-2-one 5-amino-6-(2-propylanilino)indol…

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) 3.75 5.77 -7.71 4 4 0 67 281.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-6-(3-ethoxyanilino)indolin-2-one 5-amino-6-(3-ethoxyanilino)indol…

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) 2.90 3.61 -10.01 4 5 0 76 283.331 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-6-(5-bromo-2-methoxy-anilino)indolin-2-one 5-amino-6-(5-bromo-2-methoxy-ani…

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) 3.28 3.37 -8.93 4 5 0 76 348.2 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-6-(4-fluoro-2-methoxy-anilino)indolin-2-one 5-amino-6-(4-fluoro-2-methoxy-an…

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) 2.64 2.82 -8.83 4 5 0 76 287.294 3 ↓

Parameters Provided:

ring.id = 10602
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 = 10602 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=10602&filter.purchasability=annotated

Embed Link to Results