UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9518306
9518306
7392997
7392997

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(E)-cinnamylsulfanyl]-3-(o-tolyl)-5H-pyrimido[5,4-b]indol-4-one 2-[(E)-cinnamylsulfanyl]-3-(o-to…

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) 6.53 15.1 -13.18 1 4 0 51 423.541 5 ↓

Analogs

7393087
7393087
5106297
5106297
7393086
7393086

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(E)-cinnamylsulfanyl]-3-(2-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one 2-[(E)-cinnamylsulfanyl]-3-(2-me…

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) 6.14 13.57 -15.94 1 5 0 60 439.54 6 ↓

Analogs

9518306
9518306

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(E)-cinnamylsulfanyl]-3-(2,3-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one 2-[(E)-cinnamylsulfanyl]-3-(2,3-…

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) 6.93 15.54 -13.05 1 4 0 51 437.568 5 ↓

Analogs

7393087
7393087
7393086
7393086
10245147
10245147

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(E)-cinnamylsulfanyl]-3-(2-methoxy-5-methyl-phenyl)-5H-pyrimido[5,4-b]indol-4-one 2-[(E)-cinnamylsulfanyl]-3-(2-me…

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) 6.77 14.25 -15.76 1 5 0 60 453.567 6 ↓

Parameters Provided:

ring.id = 100054
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 = 100054 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=100054&filter.purchasability=annotated

Embed Link to Results