UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

58518376
58518376
58518379
58518379
60069063
60069063
21302740
21302740

Draw Identity 99% 90% 80% 70%

Popular Name: 5-Cyclopropyl-[1,3,4]oxadiazole-2-carboxylic acid 5-Cyclopropyl-[1,3,4]oxadiazole-…

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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 -0.18 -44.42 0 5 -1 79 153.117 2 ↓

Analogs

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Popular Name: 2-[2-aminoethyl(methyl)amino]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide 2-[2-aminoethyl(methyl)amino]-N-…

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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) -1.71 -3.72 -57.84 4 7 1 99 240.287 6 ↓
Hi High (pH 8-9.5) -1.71 -4.11 -15.42 3 7 0 97 239.279 6 ↓

Analogs

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Popular Name: 2-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxo-ethyl]sulfanylacetic 2-[2-[(5-cyclopropyl-1,3,4-oxadi…

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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) -1.14 1.06 -58.52 1 7 -1 108 256.263 6 ↓
Hi High (pH 8-9.5) -0.95 -0.79 -105.3 0 7 -2 114 255.255 6 ↓

Analogs

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Popular Name: (2R)-3-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methyl-propanamide (2R)-3-chloro-N-(5-cyclopropyl-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) 0.44 1.02 -12.92 1 5 0 68 229.667 4 ↓

Analogs

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Popular Name: (2S)-3-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methyl-propanamide (2S)-3-chloro-N-(5-cyclopropyl-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) 0.44 1.03 -12.91 1 5 0 68 229.667 4 ↓

Analogs

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Popular Name: N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(ethylamino)propanamide N-(5-cyclopropyl-1,3,4-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) -0.83 -0.13 -53.54 3 6 1 85 225.272 6 ↓

Analogs

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Popular Name: N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(ethylamino)-2-methyl-propanamide N-(5-cyclopropyl-1,3,4-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) 0.06 0.31 -51 3 6 1 85 239.299 5 ↓
Hi High (pH 8-9.5) 0.06 -0.92 -13.07 2 6 0 80 238.291 5 ↓

Analogs

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Popular Name: N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methyl-2-(methylamino)propanamide N-(5-cyclopropyl-1,3,4-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) -0.31 -0.49 -53.31 3 6 1 85 225.272 4 ↓
Hi High (pH 8-9.5) -0.31 -1.72 -11.89 2 6 0 80 224.264 4 ↓

Analogs

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Popular Name: (2S)-2-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)butanamide (2S)-2-bromo-N-(5-cyclopropyl-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) 0.69 1.08 -13.41 1 5 0 68 274.118 4 ↓

Analogs

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Popular Name: (2R)-2-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)butanamide (2R)-2-bromo-N-(5-cyclopropyl-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) 0.69 1.08 -13.38 1 5 0 68 274.118 4 ↓

Analogs

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

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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 1.87 -6.59 0 3 0 39 231.093 3 ↓

Analogs

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

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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 1.86 -6.58 0 3 0 39 231.093 3 ↓

Analogs

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

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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 2.65 -6.36 0 3 0 39 245.12 3 ↓

Analogs

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

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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 2.64 -6.48 0 3 0 39 245.12 3 ↓

Analogs

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

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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 2.54 -6.19 0 3 0 39 245.12 3 ↓

Analogs

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

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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 2.53 -6.13 0 3 0 39 245.12 3 ↓

Analogs

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Popular Name: (1S)-1-[5-[(1R,2S)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-[(1R,2S)-2-methylcyclo…

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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) -1.68 -0.59 -42.93 3 4 1 67 182.247 3 ↓
Hi High (pH 8-9.5) -1.68 -0.95 -6.91 2 4 0 65 181.239 3 ↓

Analogs

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Popular Name: (1R)-1-[5-[(1R,2S)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-1-[5-[(1R,2S)-2-methylcyclo…

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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) -1.68 -0.6 -42.86 3 4 1 67 182.247 3 ↓
Hi High (pH 8-9.5) -1.68 -0.92 -5.64 2 4 0 65 181.239 3 ↓

Analogs

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Popular Name: (1S)-1-[5-[(1S,2S)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-[(1S,2S)-2-methylcyclo…

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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) -1.68 -0.7 -42.92 3 4 1 67 182.247 3 ↓
Hi High (pH 8-9.5) -1.68 -1.05 -6.72 2 4 0 65 181.239 3 ↓

Analogs

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Popular Name: (1R)-1-[5-[(1S,2S)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-1-[5-[(1S,2S)-2-methylcyclo…

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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) -1.68 -0.71 -43.09 3 4 1 67 182.247 3 ↓
Hi High (pH 8-9.5) -1.68 -1.03 -5.46 2 4 0 65 181.239 3 ↓

Analogs

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Popular Name: (1S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propan-1-amine (1S)-1-(5-cyclopropyl-1,3,4-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) -2.29 -1.37 -43.2 3 4 1 67 168.22 3 ↓
Hi High (pH 8-9.5) -2.29 -1.7 -5.81 2 4 0 65 167.212 3 ↓

Analogs

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Popular Name: (1R)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propan-1-amine (1R)-1-(5-cyclopropyl-1,3,4-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) -2.29 -1.38 -43.25 3 4 1 67 168.22 3 ↓
Hi High (pH 8-9.5) -2.29 -1.72 -7.1 2 4 0 65 167.212 3 ↓

Analogs

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Popular Name: (2R)-3-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-2-formamido-propanoic (2R)-3-[2-[(5-cyclopropyl-1,3,4-…

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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) -3.44 -0.09 -62.38 2 9 -1 137 313.315 8 ↓

Analogs

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Popular Name: (2S)-3-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-2-formamido-propanoic (2S)-3-[2-[(5-cyclopropyl-1,3,4-…

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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) -3.44 -0.22 -63.35 2 9 -1 137 313.315 8 ↓

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) -1.66 -1 -19.33 3 8 0 120 300.34 8 ↓
Lo Low (pH 4.5-6) -1.66 -0.66 -53.71 4 8 1 122 301.348 8 ↓

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) -1.66 -0.99 -19.29 3 8 0 120 300.34 8 ↓
Lo Low (pH 4.5-6) -1.66 -0.66 -53.24 4 8 1 122 301.348 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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) -1.28 -0.07 -19.05 3 8 0 120 314.367 9 ↓
Mid Mid (pH 6-8) -1.28 0.27 -53.42 4 8 1 122 315.375 9 ↓

Analogs

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Popular Name: ethyl ethyl

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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) -1.28 -0.06 -19.01 3 8 0 120 314.367 9 ↓
Mid Mid (pH 6-8) -1.28 0.27 -53 4 8 1 122 315.375 9 ↓

Analogs

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Popular Name: 5-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pentanamide 5-amino-N-(5-cyclopropyl-1,3,4-o…

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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) -1.06 -1.27 -56.72 4 6 1 96 225.272 6 ↓

Analogs

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Popular Name: (4S)-4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pentanamide (4S)-4-amino-N-(5-cyclopropyl-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) -1.16 -1.34 -60.73 4 6 1 96 225.272 5 ↓

Analogs

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Popular Name: (4R)-4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pentanamide (4R)-4-amino-N-(5-cyclopropyl-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) -1.16 -1.34 -60.75 4 6 1 96 225.272 5 ↓

Analogs

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Popular Name: 4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-methyl-pentanamide 4-amino-N-(5-cyclopropyl-1,3,4-o…

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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 -1.09 -52.33 4 6 1 96 239.299 5 ↓

Analogs

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Popular Name: 2-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxo-ethoxy]acetic 2-[2-[(5-cyclopropyl-1,3,4-oxadi…

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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) -1.68 0.48 -63.35 1 8 -1 117 240.195 6 ↓
Hi High (pH 8-9.5) -1.49 -2.39 -111.97 0 8 -2 124 239.187 6 ↓

Analogs

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Popular Name: N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[methyl-[2-(methylamino)ethyl]amino]acetamide N-(5-cyclopropyl-1,3,4-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) -0.72 0.41 -126.99 4 7 2 89 255.322 7 ↓
Hi High (pH 8-9.5) -0.72 -1.04 -49.33 3 7 1 84 254.314 7 ↓
Hi High (pH 8-9.5) -0.72 -3.29 -15.49 2 7 0 83 253.306 7 ↓

Analogs

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Popular Name: 3-[5-[(1S,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]propanoic 3-[5-[(1S,2R)-2-methylcyclopropy…

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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) -0.35 1.99 -44.36 0 5 -1 79 195.198 4 ↓

Analogs

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Popular Name: 3-[5-[(1S,2S)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]propanoic 3-[5-[(1S,2S)-2-methylcyclopropy…

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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) -0.35 1.88 -43.71 0 5 -1 79 195.198 4 ↓

Analogs

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Popular Name: 3-[5-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]propanoic 3-[5-[(1R,2R)-2-methylcyclopropy…

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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) -0.35 1.88 -43.76 0 5 -1 79 195.198 4 ↓

Analogs

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Popular Name: 3-[5-[(1R,2S)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]propanoic 3-[5-[(1R,2S)-2-methylcyclopropy…

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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) -0.35 1.99 -44.38 0 5 -1 79 195.198 4 ↓

Analogs

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Popular Name: 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)butanoic 4-(5-cyclopropyl-1,3,4-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) -0.69 1.99 -49.37 0 5 -1 79 195.198 5 ↓

Analogs

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Popular Name: 4-[5-[(1S,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]butanoic 4-[5-[(1S,2R)-2-methylcyclopropy…

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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) -0.08 2.77 -49.32 0 5 -1 79 209.225 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[5-[(1S,2S)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]butanoic 4-[5-[(1S,2S)-2-methylcyclopropy…

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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) -0.08 2.66 -48.92 0 5 -1 79 209.225 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[5-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]butanoic 4-[5-[(1R,2R)-2-methylcyclopropy…

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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) -0.08 2.66 -49.17 0 5 -1 79 209.225 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[5-[(1R,2S)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]butanoic 4-[5-[(1R,2S)-2-methylcyclopropy…

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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) -0.08 2.77 -49.63 0 5 -1 79 209.225 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pentanoic 5-(5-cyclopropyl-1,3,4-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) -0.19 2.77 -47.53 0 5 -1 79 209.225 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[5-[(1S,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]pentanoic 5-[5-[(1S,2R)-2-methylcyclopropy…

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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) 0.42 3.55 -47.52 0 5 -1 79 223.252 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[5-[(1S,2S)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]pentanoic 5-[5-[(1S,2S)-2-methylcyclopropy…

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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) 0.42 3.44 -47.15 0 5 -1 79 223.252 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[5-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]pentanoic 5-[5-[(1R,2R)-2-methylcyclopropy…

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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) 0.42 3.44 -47.22 0 5 -1 79 223.252 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[5-[(1R,2S)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]pentanoic 5-[5-[(1R,2S)-2-methylcyclopropy…

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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) 0.42 3.55 -47.6 0 5 -1 79 223.252 6 ↓

Analogs

36900703
36900703
36900705
36900705
36900706
36900706

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-1-sulfonamide 3-chloro-N-(5-cyclopropyl-1,3,4-…

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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) 0.02 -1.93 -49.3 0 6 -1 87 264.714 6 ↓

Parameters Provided:

ring.id = 24919
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 = 24919 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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