UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (R)-pyrazin-2-yl(pyrimidin-5-yl)methanol (R)-pyrazin-2-yl(pyrimidin-5-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) -0.72 0.1 -8.83 1 5 0 72 188.19 2 ↓

Analogs

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Popular Name: (S)-pyrazin-2-yl(pyrimidin-5-yl)methanol (S)-pyrazin-2-yl(pyrimidin-5-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) -0.72 0.27 -8.65 1 5 0 72 188.19 2 ↓

Analogs

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Popular Name: (R)-pyrazin-2-yl(pyrimidin-5-yl)methanamine (R)-pyrazin-2-yl(pyrimidin-5-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) -0.68 0.26 -8.08 2 5 0 78 187.206 2 ↓
Mid Mid (pH 6-8) -0.68 0.6 -51.9 3 5 1 79 188.214 2 ↓

Analogs

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Popular Name: (S)-pyrazin-2-yl(pyrimidin-5-yl)methanamine (S)-pyrazin-2-yl(pyrimidin-5-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) -0.68 0.46 -7.6 2 5 0 78 187.206 2 ↓
Mid Mid (pH 6-8) -0.68 0.7 -56.3 3 5 1 79 188.214 2 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-pyrazin-2-yl-1-pyrimidin-5-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) -0.30 1.67 -7.05 1 5 0 64 201.233 3 ↓
Mid Mid (pH 6-8) -0.30 2.52 -44.43 2 5 1 68 202.241 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-pyrazin-2-yl-1-pyrimidin-5-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) -0.30 1.19 -7.8 1 5 0 64 201.233 3 ↓
Mid Mid (pH 6-8) -0.30 2.74 -44.85 2 5 1 68 202.241 3 ↓

Analogs

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Popular Name: N-[(S)-pyrazin-2-yl(pyrimidin-5-yl)methyl]ethanamine N-[(S)-pyrazin-2-yl(pyrimidin-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) 0.07 3.35 -42.8 2 5 1 68 216.268 4 ↓
Mid Mid (pH 6-8) 0.07 2.57 -6.76 1 5 0 64 215.26 4 ↓

Analogs

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Popular Name: N-[(R)-pyrazin-2-yl(pyrimidin-5-yl)methyl]ethanamine N-[(R)-pyrazin-2-yl(pyrimidin-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) 0.07 3.59 -43.2 2 5 1 68 216.268 4 ↓
Mid Mid (pH 6-8) 0.07 2.11 -7.63 1 5 0 64 215.26 4 ↓

Analogs

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Popular Name: N-[(S)-pyrazin-2-yl(pyrimidin-5-yl)methyl]propan-1-amine N-[(S)-pyrazin-2-yl(pyrimidin-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) 0.58 4.11 -43.42 2 5 1 68 230.295 5 ↓
Mid Mid (pH 6-8) 0.58 2.94 -7.55 1 5 0 64 229.287 5 ↓

Analogs

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Popular Name: N-[(R)-pyrazin-2-yl(pyrimidin-5-yl)methyl]propan-1-amine N-[(R)-pyrazin-2-yl(pyrimidin-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) 0.58 4.11 -43.53 2 5 1 68 230.295 5 ↓
Mid Mid (pH 6-8) 0.58 3.16 -7.33 1 5 0 64 229.287 5 ↓

Parameters Provided:

ring.id = 31163
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 = 31163 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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