UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholino-ethyl]propanamide 2,2-dimethyl-N-[(2S)-2-(1-methyl…

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) 3.50 5.01 -10.91 1 5 0 45 359.514 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholino-ethyl]propanamide 2,2-dimethyl-N-[(2R)-2-(1-methyl…

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) 3.50 5.82 -10.85 1 5 0 45 359.514 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,3-dimethyl-4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)morpholine 3,3-dimethyl-4-(1,2,3,4-tetrahyd…

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) 2.74 4.54 -3.66 1 3 0 24 260.381 2 ↓
Lo Low (pH 4.5-6) 2.74 6.64 -30.8 2 3 1 26 261.389 2 ↓

Analogs

1689835
1689835

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-2,2,6-trimethyl-4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)morpholine (6R)-2,2,6-trimethyl-4-(1,2,3,4-…

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) 3.10 5.96 -3.82 1 3 0 24 274.408 2 ↓
Lo Low (pH 4.5-6) 3.10 7.92 -34.45 2 3 1 26 275.416 2 ↓

Analogs

1689835
1689835

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-2,2,6-trimethyl-4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)morpholine (6S)-2,2,6-trimethyl-4-(1,2,3,4-…

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) 3.10 5.96 -3.81 1 3 0 24 274.408 2 ↓
Lo Low (pH 4.5-6) 3.10 7.93 -34.43 2 3 1 26 275.416 2 ↓

Parameters Provided:

ring.id = 117019
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 = 117019 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=117019&filter.purchasability=annotated

Embed Link to Results