UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9R)-N-[(1R)-1-(4-pyridyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9R)-N-[(1R)-1-(4-pyridyl)ethyl]…

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) 2.73 9.77 -38.39 2 2 1 29 267.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9R)-N-[(1S)-1-(4-pyridyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9R)-N-[(1S)-1-(4-pyridyl)ethyl]…

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) 2.73 9.45 -44.27 2 2 1 29 267.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9S)-N-[(1R)-1-(4-pyridyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9S)-N-[(1R)-1-(4-pyridyl)ethyl]…

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) 2.73 9.92 -39.43 2 2 1 29 267.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9S)-N-[(1S)-1-(4-pyridyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (9S)-N-[(1S)-1-(4-pyridyl)ethyl]…

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) 2.73 9.1 -44.53 2 2 1 29 267.396 3 ↓

Parameters Provided:

ring.id = 23413
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 = 23413 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=23413&filter.purchasability=annotated

Embed Link to Results