UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-6,7-dihydro-5H-indol-4-one 1-cyclopentyl-6,7-dihydro-5H-ind…

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 8.24 -10.27 0 2 0 22 203.285 1 ↓

Analogs

2190703
2190703
2190702
2190702
12385334
12385334

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-cyclopentyl-2,6,6-trimethyl-5,…

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) 3.70 9.29 -10.04 0 2 0 22 245.366 1 ↓

Analogs

1719180
1719180
2190703
2190703
12385334
12385334

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-6,6-dimethyl-5,7-dihydroindol-4-one 1-cyclopentyl-6,6-dimethyl-5,7-d…

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) 3.48 9.17 -9.73 0 2 0 22 231.339 1 ↓

Parameters Provided:

ring.id = 571204
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 = 571204 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=571204&filter.purchasability=annotated

Embed Link to Results