UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2783357
2783357
2783358
2783358
2783359
2783359
2766454
2766454
2766452
2766452

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7S)-7-(difluoromethyl)-5-(2-furyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (5R,7S)-7-(difluoromethyl)-5-(2-…

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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) 1.90 5.06 -7.33 1 4 0 43 239.225 2 ↓
Lo Low (pH 4.5-6) 1.90 5.2 -30.51 2 4 1 44 240.233 2 ↓

Analogs

2783358
2783358
2783359
2783359
2783356
2783356
2766454
2766454
2766452
2766452

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7S)-7-(difluoromethyl)-5-(2-furyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (5S,7S)-7-(difluoromethyl)-5-(2-…

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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) 1.90 4.83 -10.63 1 4 0 43 239.225 2 ↓
Lo Low (pH 4.5-6) 1.90 4.98 -31.07 2 4 1 44 240.233 2 ↓

Analogs

2783359
2783359
2783356
2783356
2783357
2783357
2766454
2766454
2766452
2766452

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7R)-7-(difluoromethyl)-5-(2-furyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (5R,7R)-7-(difluoromethyl)-5-(2-…

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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) 1.90 4.84 -13.26 1 4 0 43 239.225 2 ↓
Lo Low (pH 4.5-6) 1.90 4.98 -29.74 2 4 1 44 240.233 2 ↓

Analogs

2783356
2783356
2783357
2783357
2783358
2783358
2766454
2766454

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7R)-7-(difluoromethyl)-5-(2-furyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (5S,7R)-7-(difluoromethyl)-5-(2-…

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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) 1.90 5.05 -11.54 1 4 0 43 239.225 2 ↓
Lo Low (pH 4.5-6) 1.90 5.2 -31.06 2 4 1 44 240.233 2 ↓

Analogs

2784669
2784669
2784670
2784670
2784671
2784671
2766484
2766484
2766482
2766482

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7S)-7-(difluoromethyl)-5-(2-furyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (5R,7S)-7-(difluoromethyl)-5-(2-…

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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) 1.58 5.56 -9.43 1 5 0 67 264.235 2 ↓

Analogs

2784670
2784670
2784671
2784671
2784668
2784668
2766484
2766484
2766482
2766482

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7S)-7-(difluoromethyl)-5-(2-furyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (5S,7S)-7-(difluoromethyl)-5-(2-…

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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) 1.58 5.32 -12.05 1 5 0 67 264.235 2 ↓

Analogs

2784671
2784671
2784668
2784668
2784669
2784669
2766484
2766484
2766482
2766482

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7R)-7-(difluoromethyl)-5-(2-furyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (5R,7R)-7-(difluoromethyl)-5-(2-…

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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) 1.58 5.3 -14.52 1 5 0 67 264.235 2 ↓

Analogs

2784668
2784668
2784669
2784669
2784670
2784670
2766484
2766484
2766482
2766482

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7R)-7-(difluoromethyl)-5-(2-furyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (5S,7R)-7-(difluoromethyl)-5-(2-…

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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) 1.58 5.55 -13.72 1 5 0 67 264.235 2 ↓

Analogs

2784684
2784684
2784685
2784685
2784686
2784686

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7R)-7-(difluoromethyl)-5-(2-furyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (5S,7R)-7-(difluoromethyl)-5-(2-…

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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) 2.12 5.65 -12.02 1 4 0 43 253.252 2 ↓
Lo Low (pH 4.5-6) 2.12 5.76 -28.26 2 4 1 44 254.26 2 ↓

Analogs

2784685
2784685
2784686
2784686
2784683
2784683

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7R)-7-(difluoromethyl)-5-(2-furyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (5R,7R)-7-(difluoromethyl)-5-(2-…

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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) 2.12 5.41 -13.8 1 4 0 43 253.252 2 ↓
Lo Low (pH 4.5-6) 2.12 5.52 -27.21 2 4 1 44 254.26 2 ↓

Analogs

2784686
2784686
2784683
2784683
2784684
2784684

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7S)-7-(difluoromethyl)-5-(2-furyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (5S,7S)-7-(difluoromethyl)-5-(2-…

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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) 2.12 5.42 -11.2 1 4 0 43 253.252 2 ↓
Lo Low (pH 4.5-6) 2.12 5.53 -28.14 2 4 1 44 254.26 2 ↓

Analogs

2784683
2784683
2784684
2784684
2784685
2784685

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7S)-7-(difluoromethyl)-5-(2-furyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (5R,7S)-7-(difluoromethyl)-5-(2-…

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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) 2.12 5.65 -7.73 1 4 0 43 253.252 2 ↓
Lo Low (pH 4.5-6) 2.12 5.76 -27.09 2 4 1 44 254.26 2 ↓

Analogs

331458
331458

Draw Identity 99% 90% 80% 70%

Popular Name: [7-chloro-4-(2-furyl)-2-(trifluoromethyl)-1,5,9-triazabicyclo[4.3.0]nona-6,8-dien-8-yl]methanol [7-chloro-4-(2-furyl)-2-(trifluo…

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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) 2.44 2.9 -10.41 2 5 0 63 321.686 3 ↓

Parameters Provided:

ring.id = 234628
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 = 234628 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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