UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12402412
12402412
12402413
12402413
12402414
12402414
15319074
15319074
15319077
15319077

Draw Identity 99% 90% 80% 70%

Popular Name: (7aR,11aR,12R)-12-(4-bromophenyl)-9,9-dimethyl-7,7a,8,10,11a,12-hexahydroquinolino[3,2-f]quinolin-11 (7aR,11aR,12R)-12-(4-bromophenyl…

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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) 6.00 -0.27 -12.46 1 3 0 42 435.365 1 ↓

Analogs

12402413
12402413
12402414
12402414
15319074
15319074
15319077
15319077
12402411
12402411

Draw Identity 99% 90% 80% 70%

Popular Name: (7aS,11aR,12R)-12-(4-bromophenyl)-9,9-dimethyl-7,7a,8,10,11a,12-hexahydroquinolino[3,2-f]quinolin-11 (7aS,11aR,12R)-12-(4-bromophenyl…

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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) 6.00 -1.17 -8.88 1 3 0 42 435.365 1 ↓

Analogs

12402414
12402414
15319074
15319074
15319077
15319077
12402411
12402411
12402412
12402412

Draw Identity 99% 90% 80% 70%

Popular Name: (7aR,11aS,12R)-12-(4-bromophenyl)-9,9-dimethyl-7,7a,8,10,11a,12-hexahydroquinolino[3,2-f]quinolin-11 (7aR,11aS,12R)-12-(4-bromophenyl…

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) 6.00 -1.15 -8.34 1 3 0 42 435.365 1 ↓

Analogs

15319074
15319074
15319077
15319077
12402411
12402411
12402412
12402412

Draw Identity 99% 90% 80% 70%

Popular Name: (7aS,11aS,12R)-12-(4-bromophenyl)-9,9-dimethyl-7,7a,8,10,11a,12-hexahydroquinolino[3,2-f]quinolin-11 (7aS,11aS,12R)-12-(4-bromophenyl…

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) 6.00 -1.1 -9.38 1 3 0 42 435.365 1 ↓

Parameters Provided:

ring.id = 101149
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 = 101149 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=101149&filter.purchasability=annotated

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