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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

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Popular Name: N-[(1-methylimidazol-2-yl)methyl]-1-(5-methylpyrazin-2-yl)methanamine N-[(1-methylimidazol-2-yl)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) -0.19 2.65 -33.17 2 5 1 57 218.284 4 ↓
Mid Mid (pH 6-8) -0.19 2.19 -9.87 1 5 0 56 217.276 4 ↓
Lo Low (pH 4.5-6) -0.19 4.01 -112.28 3 5 2 61 219.292 4 ↓

Analogs

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Popular Name: 1-(1-ethylimidazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine 1-(1-ethylimidazol-2-yl)-N-[(5-m…

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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) 0.19 3.83 -31.86 2 5 1 57 232.311 5 ↓
Hi High (pH 8-9.5) 0.19 3.06 -10.21 1 5 0 56 231.303 5 ↓
Lo Low (pH 4.5-6) 0.19 4.95 -112.35 3 5 2 61 233.319 5 ↓

Analogs

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Popular Name: N-(1H-imidazol-2-ylmethyl)-1-(5-methylpyrazin-2-yl)methanamine N-(1H-imidazol-2-ylmethyl)-1-(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) -0.26 1.34 -34.55 3 5 1 68 204.257 4 ↓
Mid Mid (pH 6-8) -0.26 0.54 -9.71 2 5 0 66 203.249 4 ↓
Lo Low (pH 4.5-6) -0.26 2.71 -115.62 4 5 2 72 205.265 4 ↓

Analogs

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Popular Name: N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methylpyrazin-2-yl)methanamine N-[[1-(difluoromethyl)imidazol-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) 0.37 2.3 -10.7 1 5 0 56 253.256 5 ↓
Mid Mid (pH 6-8) 0.37 2.65 -35.04 2 5 1 57 254.264 5 ↓
Lo Low (pH 4.5-6) 0.37 3.64 -43.28 2 5 1 60 254.264 5 ↓

Analogs

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Popular Name: N-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-1-(5-methylpyrazin-2-yl)methanamine N-[(5-chloro-1-methyl-imidazol-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) 0.61 2.55 -8.59 1 5 0 56 251.721 4 ↓
Mid Mid (pH 6-8) 0.61 3.01 -34.29 2 5 1 57 252.729 4 ↓
Lo Low (pH 4.5-6) 0.61 3.93 -48.41 2 5 1 60 252.729 4 ↓

Parameters Provided:

ring.id = 210231
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 = 210231 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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