UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-allyl-2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide N-allyl-2-[4-[(5-methyl-1,3,4-ox…

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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) -1.08 -3.39 -12.2 1 7 0 74 279.344 6 ↓
Mid Mid (pH 6-8) -1.08 -1.11 -42.22 2 7 1 76 280.352 6 ↓

Analogs

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Popular Name: 2-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole 2-[[4-(2,2-difluoroethyl)piperaz…

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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) -0.18 -1.44 -10.7 0 5 0 45 260.288 5 ↓
Mid Mid (pH 6-8) -0.18 0.83 -42.08 1 5 1 47 261.296 5 ↓

Analogs

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Popular Name: 2-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole 2-[[4-(2,2-difluoroethyl)piperaz…

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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) -0.76 -2.19 -11.18 0 5 0 45 246.261 4 ↓
Mid Mid (pH 6-8) -0.76 0.08 -42.38 1 5 1 47 247.269 4 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide N-(2-methoxyethyl)-2-[4-[(5-meth…

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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) -1.74 -4.87 -12.89 1 8 0 84 297.359 7 ↓
Mid Mid (pH 6-8) -1.74 -2.59 -42.35 2 8 1 85 298.367 7 ↓

Analogs

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Popular Name: 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole 2-[[(2S,6R)-2,6-dimethylpiperazi…

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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 -2.37 -41.52 2 5 1 59 211.289 2 ↓
Hi High (pH 8-9.5) -1.26 -3.73 -8.03 1 5 0 54 210.281 2 ↓

Analogs

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Popular Name: 2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole 2-[[(2S,6S)-2,6-dimethylpiperazi…

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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 -2.35 -45.75 2 5 1 59 211.289 2 ↓
Hi High (pH 8-9.5) -1.26 -3.52 -7.65 1 5 0 54 210.281 2 ↓

Analogs

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Popular Name: 2-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole 2-[[(2R,6R)-2,6-dimethylpiperazi…

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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 -2.24 -44.3 2 5 1 59 211.289 2 ↓
Hi High (pH 8-9.5) -1.26 -3.42 -7.24 1 5 0 54 210.281 2 ↓

Analogs

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Popular Name: 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole 2-[[(2S,6R)-2,6-dimethylpiperazi…

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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) -0.69 -1.61 -41.19 2 5 1 59 225.316 3 ↓
Hi High (pH 8-9.5) -0.69 -2.97 -7.57 1 5 0 54 224.308 3 ↓

Analogs

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Popular Name: 2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole 2-[[(2S,6S)-2,6-dimethylpiperazi…

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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) -0.69 -1.6 -45.37 2 5 1 59 225.316 3 ↓
Hi High (pH 8-9.5) -0.69 -2.77 -7.21 1 5 0 54 224.308 3 ↓

Analogs

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Popular Name: 2-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole 2-[[(2R,6R)-2,6-dimethylpiperazi…

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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) -0.69 -1.49 -43.88 2 5 1 59 225.316 3 ↓
Hi High (pH 8-9.5) -0.69 -2.66 -6.76 1 5 0 54 224.308 3 ↓

Analogs

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Popular Name: 2-tert-butyl-5-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-1,3,4-oxadiazole 2-tert-butyl-5-[[(2S,6R)-2,6-dim…

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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) 0.46 -0.55 -41.33 2 5 1 59 253.37 3 ↓
Hi High (pH 8-9.5) 0.46 -1.9 -7.22 1 5 0 54 252.362 3 ↓

Analogs

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Popular Name: 2-tert-butyl-5-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-1,3,4-oxadiazole 2-tert-butyl-5-[[(2S,6S)-2,6-dim…

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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) 0.46 -0.47 -44.7 2 5 1 59 253.37 3 ↓
Hi High (pH 8-9.5) 0.46 -1.65 -6.88 1 5 0 54 252.362 3 ↓

Analogs

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Popular Name: 2-tert-butyl-5-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-1,3,4-oxadiazole 2-tert-butyl-5-[[(2R,6R)-2,6-dim…

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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) 0.46 -0.3 -43.03 2 5 1 59 253.37 3 ↓
Hi High (pH 8-9.5) 0.46 -1.46 -6.46 1 5 0 54 252.362 3 ↓

Analogs

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Popular Name: 2-[(1R)-1-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-5-ethyl-1,3,4-oxadiazole 2-[(1R)-1-[4-(3,3-dimethylbutyl)…

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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) 1.78 3.68 -38.31 1 5 1 47 295.451 6 ↓
Hi High (pH 8-9.5) 1.78 0.95 -7.24 0 5 0 45 294.443 6 ↓

Analogs

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Popular Name: 2-[(1S)-1-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-5-ethyl-1,3,4-oxadiazole 2-[(1S)-1-[4-(3,3-dimethylbutyl)…

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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) 1.78 3.21 -40.24 1 5 1 47 295.451 6 ↓
Hi High (pH 8-9.5) 1.78 0.94 -7.19 0 5 0 45 294.443 6 ↓

Analogs

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Popular Name: 2-isopropyl-5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole 2-isopropyl-5-[[4-(2-methoxyethy…

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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) -0.29 0.21 -37.31 1 6 1 56 269.369 6 ↓
Mid Mid (pH 6-8) -0.29 0.13 -39.68 1 6 1 56 269.369 6 ↓
Mid Mid (pH 6-8) -0.29 -2.12 -8.33 0 6 0 55 268.361 6 ↓

Analogs

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Popular Name: 2-[[(3R)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole 2-[[(3R)-4-(2-methoxyethyl)-3-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) -1.01 -0.34 -36.79 1 6 1 56 255.342 5 ↓
Mid Mid (pH 6-8) -1.01 -0.25 -39.02 1 6 1 56 255.342 5 ↓
Mid Mid (pH 6-8) -1.01 -2.51 -9.24 0 6 0 55 254.334 5 ↓

Analogs

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Popular Name: 2-methyl-5-[(1R)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole 2-methyl-5-[(1R)-1-(4-methylsulf…

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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 -3.96 -14.7 0 7 0 80 274.346 3 ↓
Mid Mid (pH 6-8) -1.39 -1.76 -45.2 1 7 1 81 275.354 3 ↓

Analogs

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Popular Name: 2-methyl-5-[(1S)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole 2-methyl-5-[(1S)-1-(4-methylsulf…

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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 -3.95 -14.69 0 7 0 80 274.346 3 ↓
Mid Mid (pH 6-8) -1.39 -1.76 -45.23 1 7 1 81 275.354 3 ↓

Parameters Provided:

ring.id = 58326
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 = 58326 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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