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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40313140
40313140
40313143
40313143
13623893
13623893
13623895
13623895

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[1-(2-dimethylaminoethyl)indol-5-yl]methano [(4aR,8aS)-3,4,4a,5,6,7,8,8a-oct…

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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) 3.37 12.67 -52.91 1 4 1 30 354.518 4 ↓
Hi High (pH 8-9.5) 3.37 10.19 -9.43 0 4 0 28 353.51 4 ↓

Analogs

40313140
40313140
40313143
40313143
13623893
13623893
13623895
13623895

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[1-(2-dimethylaminoethyl)indol-5-yl]methano [(4aS,8aS)-3,4,4a,5,6,7,8,8a-oct…

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) 3.37 12.65 -51.11 1 4 1 30 354.518 4 ↓
Hi High (pH 8-9.5) 3.37 10.18 -8.18 0 4 0 28 353.51 4 ↓

Analogs

40313140
40313140
40313143
40313143
13623893
13623893
13623895
13623895

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[1-(2-dimethylaminoethyl)indol-5-yl]methano [(4aR,8aR)-3,4,4a,5,6,7,8,8a-oct…

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) 3.37 12.58 -48.83 1 4 1 30 354.518 4 ↓
Hi High (pH 8-9.5) 3.37 10.1 -9.87 0 4 0 28 353.51 4 ↓

Analogs

40313140
40313140
40313143
40313143
13623893
13623893
13623895
13623895

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[1-(2-dimethylaminoethyl)indol-5-yl]methano [(4aS,8aR)-3,4,4a,5,6,7,8,8a-oct…

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) 3.37 12.59 -53.02 1 4 1 30 354.518 4 ↓
Hi High (pH 8-9.5) 3.37 10.11 -10.07 0 4 0 28 353.51 4 ↓

Parameters Provided:

ring.id = 602517
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 = 602517 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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