UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(aminomethyl)cyclopentyl]-(8-azaspiro[4.5]decan-8-yl)methanone [1-(aminomethyl)cyclopentyl]-(8-…

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) 1.84 5.72 -49.1 3 3 1 48 265.421 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-aminocyclopentyl)-(8-azaspiro[4.5]decan-8-yl)methanone (1-aminocyclopentyl)-(8-azaspiro…

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) 2.43 5.5 -49.49 3 3 1 48 251.394 1 ↓
Hi High (pH 8-9.5) 2.43 5.33 -6.29 2 3 0 46 250.386 1 ↓

Analogs

44808594
44808594
44814560
44814560
44823809
44823809
44823810
44823810
44824356
44824356

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(8-azaspiro[4.5]decane-8-carbonyl)cyclopentanecarbonitrile 1-(8-azaspiro[4.5]decane-8-carbo…

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) 2.82 8.05 -6.89 0 3 0 44 260.381 1 ↓

Analogs

44828398
44828398
44828406
44828406
44828408
44828408
44828457
44828457
44830066
44830066

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(8-azaspiro[4.5]decane-8-carbonyl)cyclopentanecarbothioamide 1-(8-azaspiro[4.5]decane-8-carbo…

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) 1.95 6.56 -4.83 2 3 0 46 294.464 2 ↓

Analogs

42453753
42453753
42453754
42453754
42453952
42453952

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(8-azaspiro[4.5]decane-8-carbonyl)-N'-hydroxy-cyclopentanecarboxamidine 1-(8-azaspiro[4.5]decane-8-carbo…

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) 2.05 4.38 -6.22 3 5 0 79 293.411 2 ↓

Parameters Provided:

ring.id = 318656
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 = 318656 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=318656&filter.purchasability=annotated

Embed Link to Results