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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridyl)ethanamine (1R)-N-[(1S)-1-(4-methyl-1,2,4-t…

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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) 1.61 8.14 -38.86 2 5 1 60 274.392 4 ↓
Mid Mid (pH 6-8) 1.61 8.45 -33.51 2 5 1 57 274.392 4 ↓
Mid Mid (pH 6-8) 1.61 8.06 -13.53 1 5 0 56 273.384 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridyl)ethanamine (1S)-N-[(1S)-1-(4-methyl-1,2,4-t…

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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) 1.61 8.22 -45.35 2 5 1 60 274.392 4 ↓
Mid Mid (pH 6-8) 1.61 8.21 -35.62 2 5 1 57 274.392 4 ↓
Mid Mid (pH 6-8) 1.61 7.82 -12.96 1 5 0 56 273.384 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridyl)ethanamine (1R)-N-[(1R)-1-(4-methyl-1,2,4-t…

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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) 1.61 8.23 -44.7 2 5 1 60 274.392 4 ↓
Mid Mid (pH 6-8) 1.61 8.23 -32.14 2 5 1 57 274.392 4 ↓
Mid Mid (pH 6-8) 1.61 7.83 -14.74 1 5 0 56 273.384 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridyl)ethanamine (1S)-N-[(1R)-1-(4-methyl-1,2,4-t…

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) 1.61 8.07 -39.52 2 5 1 60 274.392 4 ↓
Mid Mid (pH 6-8) 1.61 7.91 -35.89 2 5 1 57 274.392 4 ↓
Mid Mid (pH 6-8) 1.61 7.52 -12.54 1 5 0 56 273.384 4 ↓

Parameters Provided:

ring.id = 558044
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 = 558044 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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