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

Analogs

2792289
2792289
2792290
2792290
2792291
2792291

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isobutyl-5-[(5R,7S)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrim 4-isobutyl-5-[(5R,7S)-5-(4-metho…

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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) 4.45 10.91 -50.73 1 7 -1 70 451.498 6 ↓
Hi High (pH 8-9.5) 4.63 11.14 -58.8 2 7 0 75 452.506 6 ↓
Mid Mid (pH 6-8) 3.73 10.74 -15.19 2 7 0 73 452.506 6 ↓

Analogs

2792290
2792290
2792291
2792291
2792288
2792288

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isobutyl-5-[(5R,7R)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrim 4-isobutyl-5-[(5R,7R)-5-(4-metho…

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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) 4.45 10.22 -51.4 1 7 -1 70 451.498 6 ↓
Hi High (pH 8-9.5) 4.63 10.51 -55.07 2 7 0 75 452.506 6 ↓
Mid Mid (pH 6-8) 3.73 10.04 -16.31 2 7 0 73 452.506 6 ↓

Analogs

2792291
2792291
2792289
2792289
2792288
2792288

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isobutyl-5-[(5S,7S)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrim 4-isobutyl-5-[(5S,7S)-5-(4-metho…

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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) 4.45 10.2 -50.73 1 7 -1 70 451.498 6 ↓
Hi High (pH 8-9.5) 4.63 10.49 -55.18 2 7 0 75 452.506 6 ↓
Mid Mid (pH 6-8) 3.73 10.04 -16.21 2 7 0 73 452.506 6 ↓

Analogs

2792289
2792289
2792290
2792290
2792288
2792288

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isobutyl-5-[(5S,7R)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrim 4-isobutyl-5-[(5S,7R)-5-(4-metho…

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) 4.45 10.93 -49.99 1 7 -1 70 451.498 6 ↓
Hi High (pH 8-9.5) 4.63 11.15 -58.83 2 7 0 75 452.506 6 ↓
Mid Mid (pH 6-8) 3.73 10.74 -15.2 2 7 0 73 452.506 6 ↓

Parameters Provided:

ring.id = 237671
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 = 237671 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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