UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11995185
11995185
11995195
11995195
11995196
11995196

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydroisoxazol-5-yl]methyl]-2,3,4,9-tetrahydro-1H-carb (1R)-N-[[(5R)-3-[(4-fluorophenyl…

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) 4.21 -1.03 -16.76 2 5 0 66 405.473 5 ↓

Analogs

11995195
11995195
11995196
11995196
11995182
11995182

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[[(5S)-3-[(4-fluorophenyl)methyl]-4,5-dihydroisoxazol-5-yl]methyl]-2,3,4,9-tetrahydro-1H-carb (1R)-N-[[(5S)-3-[(4-fluorophenyl…

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) 4.21 -1.08 -17.42 2 5 0 66 405.473 5 ↓

Analogs

11995196
11995196
11995182
11995182
11995185
11995185

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydroisoxazol-5-yl]methyl]-2,3,4,9-tetrahydro-1H-carb (1S)-N-[[(5R)-3-[(4-fluorophenyl…

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) 4.21 -1.09 -17.12 2 5 0 66 405.473 5 ↓

Analogs

11995182
11995182
11995185
11995185

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[[(5S)-3-[(4-fluorophenyl)methyl]-4,5-dihydroisoxazol-5-yl]methyl]-2,3,4,9-tetrahydro-1H-carb (1S)-N-[[(5S)-3-[(4-fluorophenyl…

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) 4.21 -1.11 -17.28 2 5 0 66 405.473 5 ↓

Parameters Provided:

ring.id = 67042
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 = 67042 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=67042&filter.purchasability=annotated

Embed Link to Results