UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R,6R)-N-[(6-methoxy-3-pyridyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine (1R,5R,6R)-N-[(6-methoxy-3-pyrid…

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) 2.17 5.13 -44.22 2 3 1 39 231.319 4 ↓
Hi High (pH 8-9.5) 2.17 4.26 -4.31 1 3 0 34 230.311 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R,6S)-N-[(6-methoxy-3-pyridyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine (1R,5R,6S)-N-[(6-methoxy-3-pyrid…

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) 2.17 4.86 -46.28 2 3 1 39 231.319 4 ↓
Hi High (pH 8-9.5) 2.17 3.41 -4.91 1 3 0 34 230.311 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5R,6R)-N-[(6-methoxy-3-pyridyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine (1S,5R,6R)-N-[(6-methoxy-3-pyrid…

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) 2.17 5.05 -43.79 2 3 1 39 231.319 4 ↓
Hi High (pH 8-9.5) 2.17 3.81 -4.55 1 3 0 34 230.311 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5R,6S)-N-[(6-methoxy-3-pyridyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine (1S,5R,6S)-N-[(6-methoxy-3-pyrid…

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) 2.17 4.86 -44.71 2 3 1 39 231.319 4 ↓
Hi High (pH 8-9.5) 2.17 3.57 -4.66 1 3 0 34 230.311 4 ↓

Parameters Provided:

ring.id = 550940
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 = 550940 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=550940&filter.purchasability=annotated

Embed Link to Results