UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

15728480
15728480

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide N-cyclohexyl-2-oxo-1,3,4,5-tetra…

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) 2.85 4.14 -12.32 2 5 0 75 322.43 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-N-methyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide N-cyclohexyl-N-methyl-2-oxo-1,3,…

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) 3.09 5.94 -11.16 1 5 0 66 336.457 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-oxo-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide 2-oxo-N-[(1R,2S)-2-(trifluoromet…

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) 3.64 5.54 -14.45 2 5 0 75 390.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-oxo-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide 2-oxo-N-[(1S,2S)-2-(trifluoromet…

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) 3.64 5.36 -12.84 2 5 0 75 390.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-oxo-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide 2-oxo-N-[(1R,2R)-2-(trifluoromet…

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) 3.64 5.28 -14.27 2 5 0 75 390.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-oxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide 2-oxo-N-[(1S,2R)-2-(trifluoromet…

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) 3.64 5.61 -13.2 2 5 0 75 390.427 4 ↓

Parameters Provided:

ring.id = 87016
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 = 87016 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=87016&filter.purchasability=annotated

Embed Link to Results