UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2791382
2791382
2791383
2791383
2791384
2791384

Draw Identity 99% 90% 80% 70%

Popular Name: 4-benzyl-3-[(5S,7R)-5-(4-chlorophenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidi 4-benzyl-3-[(5S,7R)-5-(4-chlorop…

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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) 4.95 13.6 -51.83 3 6 1 68 491.95 5 ↓
Hi High (pH 8-9.5) 5.67 12.79 -41.85 1 6 -1 64 489.934 5 ↓
Hi High (pH 8-9.5) 5.67 13.23 -53.79 2 6 0 65 490.942 5 ↓

Analogs

2791383
2791383
2791384
2791384
2791381
2791381

Draw Identity 99% 90% 80% 70%

Popular Name: 4-benzyl-3-[(5R,7R)-5-(4-chlorophenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidi 4-benzyl-3-[(5R,7R)-5-(4-chlorop…

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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) 4.95 12.94 -50.35 3 6 1 68 491.95 5 ↓
Hi High (pH 8-9.5) 5.67 12.56 -41.28 1 6 -1 64 489.934 5 ↓
Hi High (pH 8-9.5) 5.67 12.59 -54.23 2 6 0 65 490.942 5 ↓

Analogs

2791384
2791384
2791381
2791381
2791382
2791382

Draw Identity 99% 90% 80% 70%

Popular Name: 4-benzyl-3-[(5S,7S)-5-(4-chlorophenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidi 4-benzyl-3-[(5S,7S)-5-(4-chlorop…

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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) 4.95 12.94 -50.64 3 6 1 68 491.95 5 ↓
Hi High (pH 8-9.5) 5.67 12.09 -41.38 1 6 -1 64 489.934 5 ↓
Hi High (pH 8-9.5) 5.67 12.59 -53.34 2 6 0 65 490.942 5 ↓

Analogs

2791381
2791381
2791382
2791382
2791383
2791383

Draw Identity 99% 90% 80% 70%

Popular Name: 4-benzyl-3-[(5R,7S)-5-(4-chlorophenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidi 4-benzyl-3-[(5R,7S)-5-(4-chlorop…

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) 4.95 13.59 -51.68 3 6 1 68 491.95 5 ↓
Hi High (pH 8-9.5) 5.67 12.79 -42.23 1 6 -1 64 489.934 5 ↓
Hi High (pH 8-9.5) 5.67 13.23 -54.16 2 6 0 65 490.942 5 ↓

Parameters Provided:

ring.id = 237330
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 = 237330 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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