UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)pteridin-4-amine 2-(4-benzylpiperazin-1-yl)-N-(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) 4.66 10.22 -13.47 1 7 0 70 415.476 5 ↓

Analogs

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Popular Name: 2-(4-benzylpiperazin-1-yl)-N-(4-chlorophenyl)pteridin-4-amine 2-(4-benzylpiperazin-1-yl)-N-(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) 5.17 10.68 -12.95 1 7 0 70 431.931 5 ↓

Analogs

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Popular Name: 2-(4-benzylpiperazin-1-yl)-N-(4-chloro-2-methyl-phenyl)pteridin-4-amine 2-(4-benzylpiperazin-1-yl)-N-(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) 5.55 11.57 -12.7 1 7 0 70 445.958 5 ↓

Analogs

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Popular Name: 2-(4-benzylpiperazin-1-yl)-N-(3-chloro-4-methyl-phenyl)pteridin-4-amine 2-(4-benzylpiperazin-1-yl)-N-(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) 5.55 11.3 -12.4 1 7 0 70 445.958 5 ↓

Analogs

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Popular Name: 2-(4-benzylpiperazin-1-yl)-N-(p-tolyl)pteridin-4-amine 2-(4-benzylpiperazin-1-yl)-N-(p-…

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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) 4.94 10.83 -13.43 1 7 0 70 411.513 5 ↓

Analogs

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Popular Name: 2-(4-benzylpiperazin-1-yl)-N-(4-methoxyphenyl)pteridin-4-amine 2-(4-benzylpiperazin-1-yl)-N-(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) 4.55 9.48 -14.16 1 8 0 79 427.512 6 ↓

Analogs

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Popular Name: 2-(4-benzylpiperazin-1-yl)-N-(3,4-dimethylphenyl)pteridin-4-amine 2-(4-benzylpiperazin-1-yl)-N-(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) 5.32 11.5 -13.45 1 7 0 70 425.54 5 ↓

Analogs

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Popular Name: 2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)pteridin-4-amine 2-(4-benzylpiperazin-1-yl)-N-(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) 5.32 11.71 -13.26 1 7 0 70 425.54 5 ↓

Analogs

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Popular Name: 2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylphenyl)pteridin-4-amine 2-(4-benzylpiperazin-1-yl)-N-(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) 5.32 11.75 -13.3 1 7 0 70 425.54 5 ↓

Analogs

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Popular Name: 2-(4-benzylpiperazin-1-yl)-N-phenyl-pteridin-4-amine 2-(4-benzylpiperazin-1-yl)-N-phe…

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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) 4.49 10.15 -13.44 1 7 0 70 397.486 5 ↓

Parameters Provided:

ring.id = 111076
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 = 111076 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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