UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14549233
14549233
14549234
14549234
14549235
14549235
14464010
14464010
14464012
14464012

Draw Identity 99% 90% 80% 70%

Popular Name: piperazine, 1-[[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]-4-methyl- piperazine, 1-[[4-(9-anthracenyl…

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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) 5.66 11.49 -10.48 1 5 0 53 509.675 3 ↓

Analogs

14549234
14549234
14549235
14549235
14549232
14549232
14464010
14464010
14464012
14464012

Draw Identity 99% 90% 80% 70%

Popular Name: piperazine, 1-[[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]-4-methyl- piperazine, 1-[[4-(9-anthracenyl…

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) 5.66 10.45 -13.37 1 5 0 53 509.675 3 ↓

Analogs

14549235
14549235
14549232
14549232
14549233
14549233
14464010
14464010
14464012
14464012

Draw Identity 99% 90% 80% 70%

Popular Name: piperazine, 1-[[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]-4-methyl- piperazine, 1-[[4-(9-anthracenyl…

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) 5.66 11.79 -10.45 1 5 0 53 509.675 3 ↓

Analogs

14549232
14549232
14549233
14549233
14549234
14549234
14464010
14464010
14464012
14464012

Draw Identity 99% 90% 80% 70%

Popular Name: piperazine, 1-[[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]-4-methyl- piperazine, 1-[[4-(9-anthracenyl…

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) 5.66 11.55 -10.4 1 5 0 53 509.675 3 ↓

Parameters Provided:

ring.id = 243593
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 = 243593 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=243593&filter.purchasability=annotated

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