UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-pyrazin-2-yl-1H-imidazole-4-carboxylic 2-pyrazin-2-yl-1H-imidazole-4-ca…

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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) 0.02 1.83 -55.43 1 6 -1 95 189.154 2 ↓
Lo Low (pH 4.5-6) 0.02 2.26 -37.56 2 6 0 96 190.162 2 ↓

Analogs

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Popular Name: methyl methyl

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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) 0.28 1.85 -8.39 1 6 0 81 204.189 3 ↓

Analogs

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Popular Name: (2-pyrazin-2-yl-1H-imidazol-4-yl)methanamine (2-pyrazin-2-yl-1H-imidazol-4-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) -0.36 -0.73 -46.71 4 5 1 82 176.203 2 ↓
Hi High (pH 8-9.5) -0.36 -1.16 -8.38 3 5 0 80 175.195 2 ↓

Analogs

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Popular Name: N-methyl-1-(2-pyrazin-2-yl-1H-imidazol-4-yl)methanamine N-methyl-1-(2-pyrazin-2-yl-1H-im…

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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) 0.01 1.15 -41.58 3 5 1 71 190.23 3 ↓
Hi High (pH 8-9.5) 0.01 -0.31 -8.04 2 5 0 66 189.222 3 ↓

Analogs

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Popular Name: N-[(2-pyrazin-2-yl-1H-imidazol-4-yl)methyl]ethanamine N-[(2-pyrazin-2-yl-1H-imidazol-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) 0.39 2.01 -40.85 3 5 1 71 204.257 4 ↓
Hi High (pH 8-9.5) 0.39 0.63 -7.85 2 5 0 66 203.249 4 ↓

Analogs

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Popular Name: N-[(2-pyrazin-2-yl-1H-imidazol-4-yl)methyl]propan-1-amine N-[(2-pyrazin-2-yl-1H-imidazol-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) 0.89 2.76 -41.64 3 5 1 71 218.284 5 ↓
Hi High (pH 8-9.5) 0.89 1.39 -7.72 2 5 0 66 217.276 5 ↓

Analogs

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Popular Name: N-[(2-pyrazin-2-yl-1H-imidazol-4-yl)methyl]propan-2-amine N-[(2-pyrazin-2-yl-1H-imidazol-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) 0.68 2.53 -39.69 3 5 1 71 218.284 4 ↓
Hi High (pH 8-9.5) 0.68 1.32 -7.66 2 5 0 66 217.276 4 ↓

Analogs

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Popular Name: 2-methyl-N-[(2-pyrazin-2-yl-1H-imidazol-4-yl)methyl]propan-2-amine 2-methyl-N-[(2-pyrazin-2-yl-1H-i…

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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) 1.20 2.95 -37.66 3 5 1 71 232.311 4 ↓
Hi High (pH 8-9.5) 1.20 1.7 -7.52 2 5 0 66 231.303 4 ↓

Analogs

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Popular Name: 2-methyl-N-[(2-pyrazin-2-yl-1H-imidazol-4-yl)methyl]propan-1-amine 2-methyl-N-[(2-pyrazin-2-yl-1H-i…

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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) 1.13 3.45 -41.82 3 5 1 71 232.311 5 ↓
Hi High (pH 8-9.5) 1.13 2.22 -7.51 2 5 0 66 231.303 5 ↓

Analogs

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Popular Name: 2-methoxy-N-[(2-pyrazin-2-yl-1H-imidazol-4-yl)methyl]ethanamine 2-methoxy-N-[(2-pyrazin-2-yl-1H-…

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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) 0.00 1.14 -42.2 3 6 1 80 234.283 6 ↓
Hi High (pH 8-9.5) 0.00 -0.22 -9.66 2 6 0 76 233.275 6 ↓

Analogs

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Popular Name: methyl methyl

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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 4.6 -13.91 0 6 0 70 218.216 4 ↓
Lo Low (pH 4.5-6) 0.14 4.95 -35.21 1 6 1 71 219.224 4 ↓

Analogs

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Popular Name: 2-[1-(2-bromoallyl)imidazol-2-yl]pyrazine 2-[1-(2-bromoallyl)imidazol-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) 1.39 5.96 -9.61 0 4 0 44 265.114 3 ↓
Lo Low (pH 4.5-6) 1.39 6.12 -30.38 1 4 1 45 266.122 3 ↓

Analogs

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Popular Name: 2-pyrazin-2-yl-1H-imidazole-4-carbaldehyde 2-pyrazin-2-yl-1H-imidazole-4-ca…

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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) 0.24 0.97 -17.73 1 5 0 72 174.163 2 ↓

Analogs

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Popular Name: N-isopropyl-N-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)acetamide N-isopropyl-N-methyl-2-(2-pyrazi…

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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 5.54 -16.9 0 6 0 64 259.313 4 ↓
Lo Low (pH 4.5-6) 0.30 5.85 -35.2 1 6 1 65 260.321 4 ↓

Parameters Provided:

ring.id = 17855
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 = 17855 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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