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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[[(2S)-tetrahydrofuran-2-yl]methyl]-1H-imidazole-4-carboxylic 2-[[(2S)-tetrahydrofuran-2-yl]me…

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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) 0.40 3.65 -62.73 1 5 -1 78 195.198 3 ↓
Mid Mid (pH 6-8) 0.40 3.84 -36.9 2 5 0 79 196.206 3 ↓

Analogs

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Popular Name: 2-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-imidazole-4-carboxylic 2-[[(2R)-tetrahydrofuran-2-yl]me…

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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) 0.40 3.42 -59.66 1 5 -1 78 195.198 3 ↓
Mid Mid (pH 6-8) 0.40 3.83 -39.96 2 5 0 79 196.206 3 ↓

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) 0.66 3.72 -13.45 1 5 0 64 210.233 4 ↓
Lo Low (pH 4.5-6) 0.66 3.89 -33.66 2 5 1 65 211.241 4 ↓

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) 0.66 3.48 -11.78 1 5 0 64 210.233 4 ↓
Lo Low (pH 4.5-6) 0.66 3.88 -32.86 2 5 1 65 211.241 4 ↓

Analogs

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Popular Name: [2-[[(2S)-tetrahydrofuran-2-yl]methyl]-1H-imidazol-4-yl]methanamine [2-[[(2S)-tetrahydrofuran-2-yl]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) 0.01 1.11 -41.12 4 4 1 66 182.247 3 ↓
Hi High (pH 8-9.5) 0.01 0.7 -9.71 3 4 0 64 181.239 3 ↓
Lo Low (pH 4.5-6) 0.01 1.31 -102.35 5 4 2 67 183.255 3 ↓

Analogs

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Popular Name: [2-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-imidazol-4-yl]methanamine [2-[[(2R)-tetrahydrofuran-2-yl]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) 0.01 0.88 -41.63 4 4 1 66 182.247 3 ↓
Hi High (pH 8-9.5) 0.01 0.47 -8.39 3 4 0 64 181.239 3 ↓
Lo Low (pH 4.5-6) 0.01 1.3 -101.08 5 4 2 67 183.255 3 ↓

Analogs

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Popular Name: N-[[2-[[(2S)-tetrahydrofuran-2-yl]methyl]-1H-imidazol-4-yl]methyl]propan-1-amine N-[[2-[[(2S)-tetrahydrofuran-2-y…

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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) 1.26 4.59 -36.18 3 4 1 55 224.328 6 ↓
Hi High (pH 8-9.5) 1.26 3.22 -8.44 2 4 0 50 223.32 6 ↓
Lo Low (pH 4.5-6) 1.26 4.79 -99.36 4 4 2 56 225.336 6 ↓

Analogs

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Popular Name: N-[[2-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-imidazol-4-yl]methyl]propan-1-amine N-[[2-[[(2R)-tetrahydrofuran-2-y…

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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) 1.26 4.37 -36.57 3 4 1 55 224.328 6 ↓
Hi High (pH 8-9.5) 1.26 3 -7.22 2 4 0 50 223.32 6 ↓
Lo Low (pH 4.5-6) 1.26 4.79 -100.66 4 4 2 56 225.336 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-[[(2S)-tetrahydrofuran-2-yl]methyl]-1H-imidazol-4-yl]methyl]propan-1-amine 2-methyl-N-[[2-[[(2S)-tetrahydro…

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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) 1.50 5.29 -35.93 3 4 1 55 238.355 6 ↓
Hi High (pH 8-9.5) 1.50 4.05 -8.15 2 4 0 50 237.347 6 ↓
Lo Low (pH 4.5-6) 1.50 5.48 -100.24 4 4 2 56 239.363 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-imidazol-4-yl]methyl]propan-1-amine 2-methyl-N-[[2-[[(2R)-tetrahydro…

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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) 1.50 5.06 -36.38 3 4 1 55 238.355 6 ↓
Hi High (pH 8-9.5) 1.50 3.83 -6.94 2 4 0 50 237.347 6 ↓
Lo Low (pH 4.5-6) 1.50 5.48 -101.66 4 4 2 56 239.363 6 ↓

Parameters Provided:

ring.id = 17838
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 = 17838 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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