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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40768216
40768216
40768218
40768218
40768220
40768220

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3aS,7aS)-N-[2-(azepan-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2S,3aS,7aS)-N-[2-(azepan-1-yl)e…

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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) 3.43 7.07 -91.13 4 4 2 50 295.471 4 ↓
Mid Mid (pH 6-8) 3.62 4.74 -42.46 3 4 1 56 294.463 4 ↓

Analogs

40768218
40768218
40768220
40768220
40768214
40768214

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aS,7aS)-N-[2-(azepan-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aS,7aS)-N-[2-(azepan-1-yl)e…

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) 3.43 6.94 -89.83 4 4 2 50 295.471 4 ↓
Mid Mid (pH 6-8) 3.62 4.61 -37.88 3 4 1 56 294.463 4 ↓

Analogs

40768220
40768220
40768214
40768214
40768216
40768216

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3aR,7aS)-N-[2-(azepan-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2S,3aR,7aS)-N-[2-(azepan-1-yl)e…

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) 3.43 6.97 -92.04 4 4 2 50 295.471 4 ↓
Mid Mid (pH 6-8) 3.62 4.63 -41.41 3 4 1 56 294.463 4 ↓

Analogs

40768214
40768214
40768216
40768216
40768218
40768218

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aR,7aS)-N-[2-(azepan-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aR,7aS)-N-[2-(azepan-1-yl)e…

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) 3.43 6.83 -91.04 4 4 2 50 295.471 4 ↓
Mid Mid (pH 6-8) 3.62 4.5 -39.51 3 4 1 56 294.463 4 ↓

Parameters Provided:

ring.id = 517114
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 = 517114 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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