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

Analogs

2792000
2792000
2792001
2792001
2792002
2792002

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-furfuryl)-5-[(5R,7S)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]p 4-(2-furfuryl)-5-[(5R,7S)-5-(4-m…

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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) 4.18 10.93 -50.9 1 8 -1 83 475.476 6 ↓
Mid Mid (pH 6-8) 3.46 10.84 -15.55 2 8 0 86 476.484 6 ↓
Mid Mid (pH 6-8) 4.36 11.28 -56.03 2 8 0 88 476.484 6 ↓

Analogs

2792001
2792001
2792002
2792002
2791999
2791999

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-furfuryl)-5-[(5S,7S)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]p 4-(2-furfuryl)-5-[(5S,7S)-5-(4-m…

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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) 4.18 10.19 -52.44 1 8 -1 83 475.476 6 ↓
Mid Mid (pH 6-8) 3.46 10.12 -16.61 2 8 0 86 476.484 6 ↓
Mid Mid (pH 6-8) 4.36 10.65 -52.26 2 8 0 88 476.484 6 ↓

Analogs

2792002
2792002
2791999
2791999
2792000
2792000

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-furfuryl)-5-[(5R,7R)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]p 4-(2-furfuryl)-5-[(5R,7R)-5-(4-m…

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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) 4.18 10.19 -50.7 1 8 -1 83 475.476 6 ↓
Mid Mid (pH 6-8) 3.46 10.1 -16.81 2 8 0 86 476.484 6 ↓
Mid Mid (pH 6-8) 4.36 10.65 -52.41 2 8 0 88 476.484 6 ↓

Analogs

2791999
2791999
2792000
2792000
2792001
2792001

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-furfuryl)-5-[(5S,7R)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]p 4-(2-furfuryl)-5-[(5S,7R)-5-(4-m…

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) 4.18 10.93 -51.87 1 8 -1 83 475.476 6 ↓
Mid Mid (pH 6-8) 3.46 10.83 -15.49 2 8 0 86 476.484 6 ↓
Mid Mid (pH 6-8) 4.36 11.28 -55.96 2 8 0 88 476.484 6 ↓

Parameters Provided:

ring.id = 237578
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 = 237578 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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