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

Analogs

48967137
48967137
48967140
48967140
12749816
12749816

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3aS,7aS)-N-methyl-N-[(2-methylthiazol-5-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbo (2S,3aS,7aS)-N-methyl-N-[(2-meth…

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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) 2.52 6.24 -41.52 2 4 1 50 294.444 3 ↓
Hi High (pH 8-9.5) 2.52 5.11 -12.38 1 4 0 45 293.436 3 ↓

Analogs

48967137
48967137
48967140
48967140
12749816
12749816

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aS,7aS)-N-methyl-N-[(2-methylthiazol-5-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbo (2R,3aS,7aS)-N-methyl-N-[(2-meth…

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) 2.52 6.12 -37.02 2 4 1 50 294.444 3 ↓
Hi High (pH 8-9.5) 2.52 5.02 -10.29 1 4 0 45 293.436 3 ↓

Analogs

48967137
48967137
48967140
48967140
12749816
12749816

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3aR,7aS)-N-methyl-N-[(2-methylthiazol-5-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbo (2S,3aR,7aS)-N-methyl-N-[(2-meth…

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) 2.52 6.07 -40.31 2 4 1 50 294.444 3 ↓
Hi High (pH 8-9.5) 2.52 4.91 -12.88 1 4 0 45 293.436 3 ↓

Analogs

48967137
48967137
48967140
48967140
12749816
12749816

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aR,7aS)-N-methyl-N-[(2-methylthiazol-5-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbo (2R,3aR,7aS)-N-methyl-N-[(2-meth…

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) 2.52 6.03 -38.76 2 4 1 50 294.444 3 ↓
Hi High (pH 8-9.5) 2.52 4.85 -10.78 1 4 0 45 293.436 3 ↓

Parameters Provided:

ring.id = 286921
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 = 286921 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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