UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(4-fluorophenyl)methyl]-5-(2-methyl-6-propyl-pyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole 1-[(4-fluorophenyl)methyl]-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) 3.25 11.6 -37.61 1 5 1 48 352.437 5 ↓
Mid Mid (pH 6-8) 3.25 11.27 -11.2 0 5 0 47 351.429 5 ↓

Analogs

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Popular Name: 4-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-methyl-pyrimidin-2-amine 4-[1-[(4-fluorophenyl)methyl]-4,…

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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) 1.89 9.56 -38.26 3 6 1 74 325.371 3 ↓
Hi High (pH 8-9.5) 1.89 9.54 -37.97 3 6 1 74 325.371 3 ↓
Mid Mid (pH 6-8) 1.89 9.11 -12.13 2 6 0 73 324.363 3 ↓

Analogs

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Popular Name: 5-(6-ethyl-2-methyl-pyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole 5-(6-ethyl-2-methyl-pyrimidin-4-…

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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) 2.75 10.82 -37.3 1 5 1 48 338.41 4 ↓
Mid Mid (pH 6-8) 2.75 10.49 -11.41 0 5 0 47 337.402 4 ↓

Analogs

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Popular Name: 5-(6-ethylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole 5-(6-ethylpyrimidin-4-yl)-1-[(4-…

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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) 2.66 10.53 -11.13 0 5 0 47 323.375 4 ↓
Mid Mid (pH 6-8) 2.66 10.9 -40.28 1 5 1 48 324.383 4 ↓

Analogs

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Popular Name: 6-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-N,N-dimethyl-pyrimidin-4-amine 6-[1-[(4-fluorophenyl)methyl]-4,…

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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) 2.09 10.74 -11.88 0 6 0 50 338.39 4 ↓
Lo Low (pH 4.5-6) 2.09 11.07 -40.15 1 6 1 51 339.398 4 ↓

Analogs

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Popular Name: 5-(5-ethyl-2-methyl-pyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole 5-(5-ethyl-2-methyl-pyrimidin-4-…

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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) 2.63 10.61 -9.21 0 5 0 47 337.402 4 ↓
Mid Mid (pH 6-8) 2.63 11.06 -40.35 1 5 1 48 338.41 4 ↓

Analogs

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Popular Name: 1-[(4-fluorophenyl)methyl]-5-(6-isopropyl-2-methyl-pyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole 1-[(4-fluorophenyl)methyl]-5-(6-…

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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) 3.23 11.54 -36.2 1 5 1 48 352.437 4 ↓
Mid Mid (pH 6-8) 3.23 10.93 -11.41 0 5 0 47 351.429 4 ↓

Analogs

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Popular Name: 1-[(4-fluorophenyl)methyl]-5-(5-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole 1-[(4-fluorophenyl)methyl]-5-(5-…

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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) 2.93 11.44 -8.75 0 5 0 47 337.402 5 ↓
Mid Mid (pH 6-8) 2.93 11.94 -44.09 1 5 1 48 338.41 5 ↓

Analogs

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Popular Name: 5-(5,6-dimethylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole 5-(5,6-dimethylpyrimidin-4-yl)-1…

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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) 2.46 10.77 -9.89 0 5 0 47 323.375 3 ↓
Mid Mid (pH 6-8) 2.46 11.2 -40.22 1 5 1 48 324.383 3 ↓

Analogs

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Popular Name: 1-[(4-fluorophenyl)methyl]-5-(5-isopropylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole 1-[(4-fluorophenyl)methyl]-5-(5-…

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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) 2.67 11.6 -8.77 0 5 0 47 337.402 4 ↓
Mid Mid (pH 6-8) 2.67 12.08 -43.24 1 5 1 48 338.41 4 ↓

Parameters Provided:

ring.id = 521281
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 = 521281 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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