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

Analogs

2797221
2797221
2797222
2797222
2797223
2797223

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7S)-7-(1-naphthyl)-5-(p-tolyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (5R,7S)-7-(1-naphthyl)-5-(p-toly…

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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) 4.54 14.6 -8.98 1 4 0 43 340.43 2 ↓
Mid Mid (pH 6-8) 4.72 15.53 -119.81 3 4 2 49 342.446 2 ↓
Lo Low (pH 4.5-6) 4.72 14.61 -44.85 2 4 1 47 341.438 2 ↓

Analogs

2797222
2797222
2797223
2797223
2797220
2797220

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7S)-7-(1-naphthyl)-5-(p-tolyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (5S,7S)-7-(1-naphthyl)-5-(p-toly…

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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) 4.54 13.23 -11.14 1 4 0 43 340.43 2 ↓
Mid Mid (pH 6-8) 4.72 14.47 -116.89 3 4 2 49 342.446 2 ↓
Lo Low (pH 4.5-6) 4.72 13.94 -45.08 2 4 1 47 341.438 2 ↓

Analogs

2797223
2797223
2797220
2797220
2797221
2797221

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7R)-7-(1-naphthyl)-5-(p-tolyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (5R,7R)-7-(1-naphthyl)-5-(p-toly…

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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) 4.54 13.23 -11.2 1 4 0 43 340.43 2 ↓
Mid Mid (pH 6-8) 4.72 14.74 -118.4 3 4 2 49 342.446 2 ↓
Lo Low (pH 4.5-6) 4.72 13.82 -44.9 2 4 1 47 341.438 2 ↓

Analogs

2797220
2797220
2797221
2797221
2797222
2797222

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7R)-7-(1-naphthyl)-5-(p-tolyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (5S,7R)-7-(1-naphthyl)-5-(p-toly…

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) 4.54 14.59 -8.99 1 4 0 43 340.43 2 ↓
Mid Mid (pH 6-8) 4.72 15.61 -119.38 3 4 2 49 342.446 2 ↓
Lo Low (pH 4.5-6) 4.72 14.69 -44.42 2 4 1 47 341.438 2 ↓

Parameters Provided:

ring.id = 240091
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 = 240091 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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