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

Analogs

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Popular Name: 1H-Pyrazolo[4,3-d]pyrimidine, 3-methyl-7-[4-(phenylmethyl)-1-piperazinyl]- 1H-Pyrazolo[4,3-d]pyrimidine, 3-…

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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) 1.76 6.15 -6.04 1 6 0 61 308.389 3 ↓
Mid Mid (pH 6-8) 1.76 7.08 -9.65 1 6 0 61 308.389 3 ↓

Analogs

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Popular Name: 3-methyl-7-[4-(o-tolylmethyl)piperazin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine 3-methyl-7-[4-(o-tolylmethyl)pip…

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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) 2.16 7.18 -5.98 1 6 0 61 322.416 3 ↓
Mid Mid (pH 6-8) 2.16 8.09 -9.64 1 6 0 61 322.416 3 ↓

Analogs

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Popular Name: 3-methyl-7-[4-(m-tolylmethyl)piperazin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine 3-methyl-7-[4-(m-tolylmethyl)pip…

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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) 2.18 9.05 -43.21 2 6 1 62 323.424 3 ↓
Mid Mid (pH 6-8) 2.18 7.76 -9.65 1 6 0 61 322.416 3 ↓

Analogs

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Popular Name: 3-methyl-7-[4-(p-tolylmethyl)piperazin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine 3-methyl-7-[4-(p-tolylmethyl)pip…

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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) 2.21 9.06 -43.17 2 6 1 62 323.424 3 ↓
Mid Mid (pH 6-8) 2.21 7.76 -9.74 1 6 0 61 322.416 3 ↓

Analogs

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Popular Name: 7-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidine 7-[4-[(2-fluorophenyl)methyl]pip…

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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) 1.87 6.23 -6.89 1 6 0 61 326.379 3 ↓
Mid Mid (pH 6-8) 1.87 7.15 -10.64 1 6 0 61 326.379 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidine 7-[4-[(3-fluorophenyl)methyl]pip…

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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 6.24 -7.31 1 6 0 61 326.379 3 ↓
Mid Mid (pH 6-8) 1.90 7.17 -10.93 1 6 0 61 326.379 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidine 7-[4-[(4-fluorophenyl)methyl]pip…

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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) 1.92 6.22 -6.98 1 6 0 61 326.379 3 ↓
Mid Mid (pH 6-8) 1.92 7.14 -10.65 1 6 0 61 326.379 3 ↓

Analogs

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Popular Name: 7-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidine 7-[4-[(2-chlorophenyl)methyl]pip…

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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) 2.39 6.62 -6.09 1 6 0 61 342.834 3 ↓
Mid Mid (pH 6-8) 2.39 7.55 -9.77 1 6 0 61 342.834 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidine 7-[4-[(4-chlorophenyl)methyl]pip…

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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) 2.43 6.67 -6.31 1 6 0 61 342.834 3 ↓
Mid Mid (pH 6-8) 2.43 7.6 -10.08 1 6 0 61 342.834 3 ↓

Parameters Provided:

ring.id = 539508
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 = 539508 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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