UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,2R)-2-methylcyclopropyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide N-[[(1S,2R)-2-methylcyclopropyl]…

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) 2.26 3.83 -11.16 1 5 0 65 297.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,2S)-2-methylcyclopropyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide N-[[(1S,2S)-2-methylcyclopropyl]…

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) 2.26 3.9 -11.03 1 5 0 65 297.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,2R)-2-methylcyclopropyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide N-[[(1R,2R)-2-methylcyclopropyl]…

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) 2.26 3.88 -12.32 1 5 0 65 297.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,2S)-2-methylcyclopropyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide N-[[(1R,2S)-2-methylcyclopropyl]…

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) 2.26 3.8 -11.54 1 5 0 65 297.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide N-(cyclopropylmethyl)-N-methyl-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) 1.90 4.89 -10.18 0 5 0 56 297.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide N-[(1S)-1-cyclopropylethyl]-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) 1.99 3.44 -10.05 1 5 0 65 297.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide N-[(1R)-1-cyclopropylethyl]-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) 1.99 3.39 -9.97 1 5 0 65 297.376 4 ↓

Parameters Provided:

ring.id = 12415
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 = 12415 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=12415&filter.purchasability=annotated

Embed Link to Results