UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propanamide N-[2-(tert-butylamino)-2-oxo-eth…

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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) 1.11 1.66 -12.97 2 8 0 110 331.376 7 ↓
Lo Low (pH 4.5-6) 1.11 2.1 -45.79 3 8 1 111 332.384 7 ↓

Analogs

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Popular Name: N,N-dimethyl-3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propanamide N,N-dimethyl-3-[3-(4-pyridyl)-1,…

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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) 0.12 3.09 -10.24 0 6 0 72 246.27 4 ↓
Lo Low (pH 4.5-6) 0.12 3.53 -44.21 1 6 1 73 247.278 4 ↓

Analogs

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Popular Name: (2S)-2-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (2S)-2-[3-(4-pyridyl)-1,2,4-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) 2.01 1.89 -47.69 3 5 1 79 233.295 4 ↓
Hi High (pH 8-9.5) 2.01 1.64 -7 2 5 0 78 232.287 4 ↓
Lo Low (pH 4.5-6) 2.01 2.35 -95.03 4 5 2 81 234.303 4 ↓

Analogs

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Popular Name: (2R)-2-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (2R)-2-[3-(4-pyridyl)-1,2,4-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) 2.01 1.88 -47.75 3 5 1 79 233.295 4 ↓
Hi High (pH 8-9.5) 2.01 1.63 -5.74 2 5 0 78 232.287 4 ↓
Lo Low (pH 4.5-6) 2.01 2.34 -95.25 4 5 2 81 234.303 4 ↓

Analogs

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Popular Name: 3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]-N-(2,2,2-trifluoroethyl)propanamide 3-[3-(4-pyridyl)-1,2,4-oxadiazol…

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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) 1.24 2.39 -11 1 6 0 81 300.24 6 ↓
Lo Low (pH 4.5-6) 1.24 2.83 -44.74 2 6 1 82 301.248 6 ↓

Analogs

6697255
6697255
5059219
5059219

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Popular Name: (2S)-1-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (2S)-1-[3-(4-pyridyl)-1,2,4-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) 0.14 0.68 -46.83 3 5 1 79 205.241 3 ↓
Lo Low (pH 4.5-6) 0.14 1.14 -90.97 4 5 2 81 206.249 3 ↓

Analogs

6697255
6697255
5059219
5059219

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Popular Name: (2R)-1-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (2R)-1-[3-(4-pyridyl)-1,2,4-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) 0.14 0.86 -46.68 3 5 1 79 205.241 3 ↓
Lo Low (pH 4.5-6) 0.14 1.33 -94.19 4 5 2 81 206.249 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) 1.42 5.02 -15.64 1 8 0 107 346.387 11 ↓
Lo Low (pH 4.5-6) 1.42 5.45 -49.2 2 8 1 108 347.395 11 ↓

Analogs

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Popular Name: N-methyl-3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propanamide N-methyl-3-[3-(4-pyridyl)-1,2,4-…

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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) 0.31 1.07 -12.11 1 6 0 81 232.243 4 ↓
Lo Low (pH 4.5-6) 0.31 1.5 -45.76 2 6 1 82 233.251 4 ↓

Analogs

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Popular Name: 5-[(1S)-1-bromopropyl]-3-(4-pyridyl)-1,2,4-oxadiazole 5-[(1S)-1-bromopropyl]-3-(4-pyri…

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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) 2.33 3.95 -6.24 0 4 0 52 268.114 3 ↓
Lo Low (pH 4.5-6) 2.33 4.41 -39.62 1 4 1 53 269.122 3 ↓

Analogs

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Popular Name: 5-[(1R)-1-bromopropyl]-3-(4-pyridyl)-1,2,4-oxadiazole 5-[(1R)-1-bromopropyl]-3-(4-pyri…

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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) 2.33 3.95 -6.21 0 4 0 52 268.114 3 ↓
Lo Low (pH 4.5-6) 2.33 4.41 -39.64 1 4 1 53 269.122 3 ↓

Analogs

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Popular Name: N-[(1R)-2-methyl-1-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propyl]propane-1-sulfonamide N-[(1R)-2-methyl-1-[3-(4-pyridyl…

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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) 1.88 1.67 -17.99 1 7 0 98 324.406 7 ↓
Lo Low (pH 4.5-6) 1.88 2.12 -48.91 2 7 1 99 325.414 7 ↓

Analogs

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Popular Name: N-[(1S)-2-methyl-1-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propyl]propane-1-sulfonamide N-[(1S)-2-methyl-1-[3-(4-pyridyl…

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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) 1.88 1.7 -10.73 1 7 0 98 324.406 7 ↓
Lo Low (pH 4.5-6) 1.88 2.15 -45.84 2 7 1 99 325.414 7 ↓

Analogs

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Popular Name: N-[(1S)-2-methyl-1-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propyl]methanesulfonamide N-[(1S)-2-methyl-1-[3-(4-pyridyl…

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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) 1.00 -0.15 -13.28 1 7 0 98 296.352 5 ↓
Lo Low (pH 4.5-6) 1.00 0.46 -46.36 2 7 1 99 297.36 5 ↓

Analogs

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Popular Name: N-[(1R)-2-methyl-1-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propyl]methanesulfonamide N-[(1R)-2-methyl-1-[3-(4-pyridyl…

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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) 1.00 0.03 -18.95 1 7 0 98 296.352 5 ↓
Lo Low (pH 4.5-6) 1.00 0.35 -49.43 2 7 1 99 297.36 5 ↓

Analogs

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Popular Name: N,N-diethyl-3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propanamide N,N-diethyl-3-[3-(4-pyridyl)-1,2…

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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) 1.31 4.83 -10.14 0 6 0 72 274.324 6 ↓
Lo Low (pH 4.5-6) 1.31 5.29 -43.36 1 6 1 73 275.332 6 ↓

Analogs

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Popular Name: (E)-N,2-dimethyl-N-[[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]but-2-en-1-amine (E)-N,2-dimethyl-N-[[3-(4-pyridy…

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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) 2.00 5.78 -44.5 1 5 1 56 259.333 5 ↓
Lo Low (pH 4.5-6) 2.00 6.24 -90.58 2 5 2 57 260.341 5 ↓

Analogs

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Popular Name: 4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]butan-1-amine 4-[3-(4-pyridyl)-1,2,4-oxadiazol…

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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 1.57 -51.32 3 5 1 79 219.268 5 ↓
Lo Low (pH 4.5-6) 0.28 2.03 -92.26 4 5 2 81 220.276 5 ↓

Analogs

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Popular Name: 3-[3-(2-chloro-4-pyridyl)-1,2,4-oxadiazol-5-yl]propanoic 3-[3-(2-chloro-4-pyridyl)-1,2,4-…

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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) 1.47 3.76 -41.02 0 6 -1 92 252.637 4 ↓

Analogs

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Popular Name: N-[(1S)-1,2-dimethylpropyl]-N-ethyl-3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propanamide N-[(1S)-1,2-dimethylpropyl]-N-et…

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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) 2.39 6.83 -9.74 0 6 0 72 316.405 7 ↓
Lo Low (pH 4.5-6) 2.39 7.29 -43.03 1 6 1 73 317.413 7 ↓

Analogs

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Popular Name: N-[(1R)-1,2-dimethylpropyl]-N-ethyl-3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propanamide N-[(1R)-1,2-dimethylpropyl]-N-et…

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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) 2.39 6.22 -9.95 0 6 0 72 316.405 7 ↓
Lo Low (pH 4.5-6) 2.39 6.68 -43.08 1 6 1 73 317.413 7 ↓

Analogs

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Popular Name: (2R)-N,4-dimethyl-N-[[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-2-amine (2R)-N,4-dimethyl-N-[[3-(4-pyrid…

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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) 2.54 6.23 -42.04 1 5 1 56 275.376 6 ↓
Lo Low (pH 4.5-6) 2.54 6.69 -88.68 2 5 2 57 276.384 6 ↓

Analogs

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Popular Name: (2S)-N,4-dimethyl-N-[[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-2-amine (2S)-N,4-dimethyl-N-[[3-(4-pyrid…

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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) 2.54 6.51 -42.68 1 5 1 56 275.376 6 ↓
Lo Low (pH 4.5-6) 2.54 6.97 -89.93 2 5 2 57 276.384 6 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-N-methyl-3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propanamide N-(2-cyanoethyl)-N-methyl-3-[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) 0.02 4.41 -15.67 0 7 0 96 285.307 6 ↓
Lo Low (pH 4.5-6) 0.02 4.86 -49.42 1 7 1 97 286.315 6 ↓

Analogs

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Popular Name: N-(2-bromoallyl)-3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propanamide N-(2-bromoallyl)-3-[3-(4-pyridyl…

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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) 1.42 2.97 -10.21 1 6 0 81 337.177 6 ↓
Lo Low (pH 4.5-6) 1.42 3.43 -42.85 2 6 1 82 338.185 6 ↓

Analogs

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Popular Name: 2-(2-methoxyethoxy)-N-[(1S)-2-methyl-1-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propyl]acetamide 2-(2-methoxyethoxy)-N-[(1S)-2-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) 0.72 2.71 -13.71 1 8 0 99 334.376 9 ↓
Lo Low (pH 4.5-6) 0.72 3.16 -46.35 2 8 1 101 335.384 9 ↓

Analogs

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Popular Name: 2-(2-methoxyethoxy)-N-[(1R)-2-methyl-1-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propyl]acetamide 2-(2-methoxyethoxy)-N-[(1R)-2-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) 0.72 2.78 -12.86 1 8 0 99 334.376 9 ↓
Lo Low (pH 4.5-6) 0.72 3.23 -46.07 2 8 1 101 335.384 9 ↓

Parameters Provided:

ring.id = 95277
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 = 95277 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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