UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2150205
2150205
16031377
16031377
16031379
16031379
39225760
39225760
39225761
39225761

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,12aS)-2-cyclopentyl-6-phenethyl-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]$b-carboline-1,4-quinone (6S,12aS)-2-cyclopentyl-6-phenet…

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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) 4.60 -1.63 -8.37 1 5 0 56 427.548 4 ↓

Analogs

2150205
2150205
16031377
16031377
16031379
16031379
39266458
39266458
39266459
39266459

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,12aS)-2-cyclopentyl-6-phenethyl-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]$b-carboline-1,4-quinone (6R,12aS)-2-cyclopentyl-6-phenet…

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) 4.60 -0.87 -8.99 1 5 0 56 427.548 4 ↓

Parameters Provided:

ring.id = 232291
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 = 232291 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=232291&filter.purchasability=annotated

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