UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1,3,5-trimethyl-N-(pyrazin-2-ylmethyl)pyrazol-4-amine 1,3,5-trimethyl-N-(pyrazin-2-ylm…

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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) 0.55 2.06 -9.24 1 5 0 56 217.276 3 ↓
Mid Mid (pH 6-8) 0.55 2.18 -29.55 2 5 1 57 218.284 3 ↓

Analogs

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Popular Name: 1-methyl-N-(pyrazin-2-ylmethyl)pyrazol-4-amine 1-methyl-N-(pyrazin-2-ylmethyl)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) 0.10 1.24 -8.61 1 5 0 56 189.222 3 ↓

Analogs

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Popular Name: N-(pyrazin-2-ylmethyl)-1H-pyrazol-4-amine N-(pyrazin-2-ylmethyl)-1H-pyrazo…

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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) 0.04 -0.08 -7.78 2 5 0 66 175.195 3 ↓

Analogs

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Popular Name: 1-ethyl-N-(pyrazin-2-ylmethyl)pyrazol-4-amine 1-ethyl-N-(pyrazin-2-ylmethyl)py…

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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) 0.48 2.1 -8.36 1 5 0 56 203.249 4 ↓

Analogs

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Popular Name: 3,5-dimethyl-N-(pyrazin-2-ylmethyl)-1H-pyrazol-4-amine 3,5-dimethyl-N-(pyrazin-2-ylmeth…

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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) 0.48 0.86 -8.31 2 5 0 66 203.249 3 ↓
Lo Low (pH 4.5-6) 0.48 1 -31.34 3 5 1 68 204.257 3 ↓

Analogs

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Popular Name: 2-[4-(pyrazin-2-ylmethylamino)pyrazol-1-yl]acetamide 2-[4-(pyrazin-2-ylmethylamino)py…

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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) -1.16 -1.66 -17.72 3 7 0 99 232.247 5 ↓

Analogs

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Popular Name: 1-(2-methoxyethyl)-N-(pyrazin-2-ylmethyl)pyrazol-4-amine 1-(2-methoxyethyl)-N-(pyrazin-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) 0.09 1.14 -8.23 1 6 0 65 233.275 6 ↓

Analogs

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Popular Name: 1-(2-diethylaminoethyl)-N-(pyrazin-2-ylmethyl)pyrazol-4-amine 1-(2-diethylaminoethyl)-N-(pyraz…

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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) 0.89 4.75 -38.6 2 6 1 60 275.38 8 ↓
Hi High (pH 8-9.5) 0.89 2.6 -7.42 1 6 0 59 274.372 8 ↓

Analogs

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Popular Name: N-methyl-2-[4-(pyrazin-2-ylmethylamino)pyrazol-1-yl]acetamide N-methyl-2-[4-(pyrazin-2-ylmethy…

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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) -0.79 -0.17 -17.82 2 7 0 85 246.274 5 ↓

Analogs

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Popular Name: 1-isopropyl-3,5-dimethyl-N-(pyrazin-2-ylmethyl)pyrazol-4-amine 1-isopropyl-3,5-dimethyl-N-(pyra…

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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) 1.29 3.63 -8.74 1 5 0 56 245.33 4 ↓
Lo Low (pH 4.5-6) 1.29 3.76 -27.82 2 5 1 57 246.338 4 ↓

Parameters Provided:

ring.id = 152933
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 = 152933 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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