UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (R)-pyrazin-2-yl(pyrimidin-2-yl)methanol (R)-pyrazin-2-yl(pyrimidin-2-yl)…

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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) -0.65 -0.64 -9.58 1 5 0 72 188.19 2 ↓

Analogs

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Popular Name: (S)-pyrazin-2-yl(pyrimidin-2-yl)methanol (S)-pyrazin-2-yl(pyrimidin-2-yl)…

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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) -0.65 -0.71 -9.38 1 5 0 72 188.19 2 ↓

Analogs

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Popular Name: (R)-pyrazin-2-yl(pyrimidin-2-yl)methanamine (R)-pyrazin-2-yl(pyrimidin-2-yl)…

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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) -0.61 -0.38 -8.6 2 5 0 78 187.206 2 ↓
Lo Low (pH 4.5-6) -0.61 -0.13 -44.7 3 5 1 79 188.214 2 ↓

Analogs

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Popular Name: (S)-pyrazin-2-yl(pyrimidin-2-yl)methanamine (S)-pyrazin-2-yl(pyrimidin-2-yl)…

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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) -0.61 -0.47 -8.82 2 5 0 78 187.206 2 ↓
Lo Low (pH 4.5-6) -0.61 -0.13 -40.42 3 5 1 79 188.214 2 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-pyrazin-2-yl-1-pyrimidin-2-yl-methanamine (1S)-N-methyl-1-pyrazin-2-yl-1-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) -0.23 0.19 -9.49 1 5 0 64 201.233 3 ↓
Mid Mid (pH 6-8) -0.23 1.9 -34.31 2 5 1 68 202.241 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-pyrazin-2-yl-1-pyrimidin-2-yl-methanamine (1R)-N-methyl-1-pyrazin-2-yl-1-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) -0.23 0.91 -8.74 1 5 0 64 201.233 3 ↓
Mid Mid (pH 6-8) -0.23 1.52 -34.29 2 5 1 68 202.241 3 ↓

Analogs

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Popular Name: N-[(S)-pyrazin-2-yl(pyrimidin-2-yl)methyl]ethanamine N-[(S)-pyrazin-2-yl(pyrimidin-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) 0.14 2.74 -32.56 2 5 1 68 216.268 4 ↓
Mid Mid (pH 6-8) 0.14 1.33 -8.93 1 5 0 64 215.26 4 ↓

Analogs

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Popular Name: N-[(R)-pyrazin-2-yl(pyrimidin-2-yl)methyl]ethanamine N-[(R)-pyrazin-2-yl(pyrimidin-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) 0.14 2.35 -32.56 2 5 1 68 216.268 4 ↓
Mid Mid (pH 6-8) 0.14 1.27 -8.86 1 5 0 64 215.26 4 ↓

Analogs

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Popular Name: N-[(S)-pyrazin-2-yl(pyrimidin-2-yl)methyl]propan-1-amine N-[(S)-pyrazin-2-yl(pyrimidin-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) 0.65 3.49 -32.88 2 5 1 68 230.295 5 ↓
Mid Mid (pH 6-8) 0.65 2.11 -8.81 1 5 0 64 229.287 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-pyrazin-2-yl(pyrimidin-2-yl)methyl]propan-1-amine N-[(R)-pyrazin-2-yl(pyrimidin-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) 0.65 3.49 -32.94 2 5 1 68 230.295 5 ↓
Mid Mid (pH 6-8) 0.65 2.22 -8.3 1 5 0 64 229.287 5 ↓

Parameters Provided:

ring.id = 264459
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 = 264459 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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