UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20375159
20375159
138537
138537
18217799
18217799

Draw Identity 99% 90% 80% 70%

Popular Name: 6-morpholino-N-(4-pyridylmethyl)pyridin-3-amine 6-morpholino-N-(4-pyridylmethyl)…

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) 1.12 5.1 -33.56 2 5 1 52 271.344 4 ↓
Lo Low (pH 4.5-6) 1.12 5.56 -80.44 3 5 2 53 272.352 4 ↓

Analogs

20375159
20375159

Draw Identity 99% 90% 80% 70%

Popular Name: 6-morpholino-N-[(1S)-1-(4-pyridyl)ethyl]pyridin-3-amine 6-morpholino-N-[(1S)-1-(4-pyridy…

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) 1.68 5.83 -33.84 2 5 1 52 285.371 4 ↓
Hi High (pH 8-9.5) 1.68 5.46 -8.13 1 5 0 50 284.363 4 ↓
Lo Low (pH 4.5-6) 1.68 6.29 -80.55 3 5 2 53 286.379 4 ↓

Analogs

20375159
20375159

Draw Identity 99% 90% 80% 70%

Popular Name: 6-morpholino-N-[(1R)-1-(4-pyridyl)ethyl]pyridin-3-amine 6-morpholino-N-[(1R)-1-(4-pyridy…

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) 1.68 5.83 -33.78 2 5 1 52 285.371 4 ↓
Hi High (pH 8-9.5) 1.68 5.46 -8.11 1 5 0 50 284.363 4 ↓
Lo Low (pH 4.5-6) 1.68 6.29 -80.53 3 5 2 53 286.379 4 ↓

Parameters Provided:

ring.id = 136164
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 = 136164 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=136164&filter.purchasability=annotated

Embed Link to Results