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Analogs

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Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-piperazin-1-yl-methanone (4-amino-1,2,5-oxadiazol-3-yl)-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) -1.02 -0.25 -48.57 4 7 1 102 198.206 1 ↓
Mid Mid (pH 6-8) -1.02 -1.53 -5.6 3 7 0 97 197.198 1 ↓

Analogs

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Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-(4-isopropylpiperazin-1-yl)methanone (4-amino-1,2,5-oxadiazol-3-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) 0.24 0.99 -4.68 2 7 0 88 239.279 2 ↓
Mid Mid (pH 6-8) 0.24 3.14 -40.05 3 7 1 90 240.287 2 ↓

Analogs

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Popular Name: 2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]-N,N-dimethyl-acetamide 2-[4-(4-amino-1,2,5-oxadiazole-3…

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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) -1.52 0.1 -10.44 2 9 0 109 282.304 3 ↓

Analogs

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Popular Name: 2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]-N-propyl-acetamide 2-[4-(4-amino-1,2,5-oxadiazole-3…

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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) 0.06 -0.19 -10.04 3 9 0 118 296.331 5 ↓

Analogs

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Popular Name: 2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]-N-methyl-acetamide 2-[4-(4-amino-1,2,5-oxadiazole-3…

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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) -0.82 -1.8 -10.58 3 9 0 118 268.277 3 ↓

Analogs

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Popular Name: 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-ethyl-piperazine-1-carboxamide 4-(4-amino-1,2,5-oxadiazole-3-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) 0.15 0.76 -11.41 3 9 0 118 268.277 2 ↓

Analogs

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Popular Name: N-allyl-2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]acetamide N-allyl-2-[4-(4-amino-1,2,5-oxad…

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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 -0.41 -9.84 3 9 0 118 294.315 5 ↓

Analogs

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Popular Name: 1-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]-2-methyl-propan-1-one 1-[4-(4-amino-1,2,5-oxadiazole-3…

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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 2.3 -10.72 2 8 0 106 267.289 2 ↓

Analogs

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Popular Name: 1-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]-2-methoxy-ethanone 1-[4-(4-amino-1,2,5-oxadiazole-3…

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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) -1.12 1.21 -14.27 2 9 0 115 269.261 3 ↓

Analogs

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Popular Name: 1-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]-3-methyl-butan-1-one 1-[4-(4-amino-1,2,5-oxadiazole-3…

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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 3.18 -10.53 2 8 0 106 281.316 3 ↓

Analogs

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Popular Name: 1-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]-2-(dimethylamino)ethanone 1-[4-(4-amino-1,2,5-oxadiazole-3…

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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 2.5 -46 3 9 1 110 283.312 3 ↓
Hi High (pH 8-9.5) -1.08 0.1 -11.36 2 9 0 109 282.304 3 ↓

Analogs

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Popular Name: 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N,N-diethyl-piperazine-1-carboxamide 4-(4-amino-1,2,5-oxadiazole-3-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) 0.22 2.89 -11.31 2 9 0 109 296.331 3 ↓

Analogs

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Popular Name: 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N,N-dimethyl-piperazine-1-carboxamide 4-(4-amino-1,2,5-oxadiazole-3-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) -0.92 1.36 -12.18 2 9 0 109 268.277 1 ↓

Analogs

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Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone (4-amino-1,2,5-oxadiazol-3-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) -0.18 0.32 -13.27 2 9 0 123 303.344 4 ↓

Analogs

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Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-(4-isobutylpiperazin-1-yl)methanone (4-amino-1,2,5-oxadiazol-3-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) 0.69 4.08 -42.17 3 7 1 90 254.314 3 ↓
Mid Mid (pH 6-8) 0.69 2.13 -4.48 2 7 0 88 253.306 3 ↓

Analogs

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Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone (4-amino-1,2,5-oxadiazol-3-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) -0.27 0.92 -5.92 2 7 0 88 235.247 2 ↓

Analogs

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Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-(4-isopentylpiperazin-1-yl)methanone (4-amino-1,2,5-oxadiazol-3-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) 1.22 4.67 -44.02 3 7 1 90 268.341 4 ↓
Mid Mid (pH 6-8) 1.22 2.45 -4.59 2 7 0 88 267.333 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) -0.57 0.6 -8.46 2 9 0 115 269.261 4 ↓

Analogs

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Popular Name: 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazine-1-sulfonamide 4-(4-amino-1,2,5-oxadiazole-3-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) -1.67 -4.03 -13.32 4 10 0 149 276.278 2 ↓
Hi High (pH 8-9.5) -1.67 -3.54 -38.06 3 10 -1 146 275.27 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) -0.58 0.89 -9.15 2 9 0 115 255.234 2 ↓

Analogs

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Popular Name: 2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]acetic 2-[4-(4-amino-1,2,5-oxadiazole-3…

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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) -2.10 2.65 -37.26 3 9 0 130 255.234 3 ↓
Hi High (pH 8-9.5) -2.10 0.52 -44.15 2 9 -1 129 254.226 3 ↓

Analogs

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Popular Name: 3-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]propanoic 3-[4-(4-amino-1,2,5-oxadiazole-3…

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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) -0.91 1.08 -44.7 2 9 -1 129 268.253 4 ↓
Mid Mid (pH 6-8) -0.91 3.28 -52.21 3 9 0 130 269.261 4 ↓

Analogs

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Popular Name: (4-allylpiperazin-1-yl)-(4-amino-1,2,5-oxadiazol-3-yl)methanone (4-allylpiperazin-1-yl)-(4-amino…

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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) 0.22 0.95 -4.83 2 7 0 88 237.263 3 ↓
Lo Low (pH 4.5-6) 0.22 3.19 -42.13 3 7 1 90 238.271 3 ↓

Analogs

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Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone (4-amino-1,2,5-oxadiazol-3-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) 0.76 1.28 -4.51 2 7 0 88 253.306 2 ↓
Mid Mid (pH 6-8) 0.76 3.34 -38.84 3 7 1 90 254.314 2 ↓

Analogs

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Popular Name: (2S)-2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]propanoic (2S)-2-[4-(4-amino-1,2,5-oxadiaz…

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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) -2.31 3.17 -36.5 3 9 0 130 269.261 3 ↓
Hi High (pH 8-9.5) -2.31 1.14 -44.36 2 9 -1 129 268.253 3 ↓

Analogs

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Popular Name: (2R)-2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]propanoic (2R)-2-[4-(4-amino-1,2,5-oxadiaz…

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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) -2.31 3.21 -35.11 3 9 0 130 269.261 3 ↓
Hi High (pH 8-9.5) -2.31 1.13 -45.2 2 9 -1 129 268.253 3 ↓

Analogs

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Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-[4-[(1R)-1-methylpropyl]piperazin-1-yl]methanone (4-amino-1,2,5-oxadiazol-3-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) 0.78 1.9 -4.54 2 7 0 88 253.306 3 ↓
Mid Mid (pH 6-8) 0.78 3.71 -40.07 3 7 1 90 254.314 3 ↓

Analogs

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Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-[4-[(1S)-1-methylpropyl]piperazin-1-yl]methanone (4-amino-1,2,5-oxadiazol-3-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) 0.78 1.76 -4.48 2 7 0 88 253.306 3 ↓
Mid Mid (pH 6-8) 0.78 3.72 -40 3 7 1 90 254.314 3 ↓

Parameters Provided:

ring.id = 122722
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 122722 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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