UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 1.04 3.83 -48.86 1 6 1 70 296.372 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) 1.98 4.58 -48.83 1 6 1 70 375.268 8 ↓

Analogs

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Popular Name: 2-(chloromethyl)-5-(5-chloro-2-thienyl)-1,3,4-oxadiazole 2-(chloromethyl)-5-(5-chloro-2-t…

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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) 2.52 1.35 -6.28 0 3 0 39 235.095 2 ↓

Analogs

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Popular Name: 2-[(1S)-1-chloroethyl]-5-(5-chloro-2-thienyl)-1,3,4-oxadiazole 2-[(1S)-1-chloroethyl]-5-(5-chlo…

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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) 2.88 2.06 -5.89 0 3 0 39 249.122 2 ↓

Analogs

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Popular Name: 2-[(1R)-1-chloroethyl]-5-(5-chloro-2-thienyl)-1,3,4-oxadiazole 2-[(1R)-1-chloroethyl]-5-(5-chlo…

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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) 2.88 2.06 -5.84 0 3 0 39 249.122 2 ↓

Analogs

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Popular Name: 2-(2-chloroethyl)-5-(5-chloro-2-thienyl)-1,3,4-oxadiazole 2-(2-chloroethyl)-5-(5-chloro-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) 2.73 2.14 -5.3 0 3 0 39 249.122 3 ↓

Analogs

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Popular Name: 2-(3-chloropropyl)-5-(5-chloro-2-thienyl)-1,3,4-oxadiazole 2-(3-chloropropyl)-5-(5-chloro-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) 3.00 2.91 -7.54 0 3 0 39 263.149 4 ↓

Analogs

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Popular Name: 3-[5-(5-acetyl-2-thienyl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide 3-[5-(5-acetyl-2-thienyl)-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) 1.76 -1.93 -12 1 6 0 85 347.318 7 ↓

Analogs

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Popular Name: N-(2-diethylaminoethyl)-N-methyl-3-[5-(5-methyl-2-thienyl)-1,3,4-oxadiazol-2-yl]propanamide N-(2-diethylaminoethyl)-N-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) 1.95 5.67 -41.23 1 6 1 64 351.496 9 ↓

Analogs

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Popular Name: N-[[5-(5-bromo-2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-ethane-1,2-diamine N-[[5-(5-bromo-2-thienyl)-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) 0.68 0.37 -124.37 4 5 2 71 319.228 5 ↓
Mid Mid (pH 6-8) 0.68 -1.95 -49.65 3 5 1 70 318.22 5 ↓

Analogs

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Popular Name: N-methyl-N-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]ethane-1,2-diamine N-methyl-N-[[5-(2-thienyl)-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) -0.25 -0.35 -123.51 4 5 2 71 240.332 5 ↓
Mid Mid (pH 6-8) -0.25 -2.68 -51.35 3 5 1 70 239.324 5 ↓

Analogs

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Popular Name: 2-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]acetic 2-[[5-(2-thienyl)-1,3,4-oxadiazo…

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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) 0.89 2.15 -49.55 0 5 -1 79 255.3 5 ↓

Analogs

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Popular Name: 3-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic 3-[[5-(2-thienyl)-1,3,4-oxadiazo…

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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 2.95 -46.9 0 5 -1 79 269.327 6 ↓

Analogs

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Popular Name: (2S)-2-[[5-(5-bromo-2-thienyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic (2S)-2-[[5-(5-bromo-2-thienyl)-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) 2.18 3.54 -47.38 0 5 -1 79 348.223 5 ↓

Analogs

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Popular Name: (2R)-2-[[5-(5-bromo-2-thienyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic (2R)-2-[[5-(5-bromo-2-thienyl)-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) 2.18 3.51 -47.32 0 5 -1 79 348.223 5 ↓

Analogs

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

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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) 2.72 2.25 -7.47 0 3 0 39 273.155 3 ↓

Analogs

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

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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) 2.72 2.25 -7.45 0 3 0 39 273.155 3 ↓

Analogs

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

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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) 3.65 2.98 -4.97 0 3 0 39 352.051 3 ↓

Analogs

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Popular Name: 2-[(1R)-1-bromopropyl]-5-(5-bromo-2-thienyl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(5-brom…

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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) 3.65 2.98 -4.95 0 3 0 39 352.051 3 ↓

Analogs

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Popular Name: 2-[(1S)-1-bromopropyl]-5-(5-methyl-2-thienyl)-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-(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) 2.94 3.09 -7.22 0 3 0 39 287.182 3 ↓

Analogs

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Popular Name: 2-[(1R)-1-bromopropyl]-5-(5-methyl-2-thienyl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(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) 2.94 3.09 -7.2 0 3 0 39 287.182 3 ↓

Analogs

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Popular Name: 2-[(1S)-1-bromopropyl]-5-(3-methyl-2-thienyl)-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-(3-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) 3.09 3.3 -7.4 0 3 0 39 287.182 3 ↓

Analogs

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Popular Name: 2-[(1R)-1-bromopropyl]-5-(3-methyl-2-thienyl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(3-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) 3.09 3.3 -7.39 0 3 0 39 287.182 3 ↓

Analogs

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

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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) 3.52 2.88 -5 0 3 0 39 307.6 3 ↓

Analogs

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Popular Name: 2-[(1R)-1-bromopropyl]-5-(5-chloro-2-thienyl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(5-chlo…

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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) 3.52 2.88 -4.99 0 3 0 39 307.6 3 ↓

Analogs

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Popular Name: 2-[(1R)-1-bromopropyl]-5-(5-ethyl-2-thienyl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(5-ethy…

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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) 3.51 3.87 -6.69 0 3 0 39 301.209 4 ↓

Analogs

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

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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) 3.51 3.87 -6.68 0 3 0 39 301.209 4 ↓

Analogs

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Popular Name: (1R)-1-[5-(5-ethyl-2-thienyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-1-[5-(5-ethyl-2-thienyl)-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) 0.31 0.63 -43.93 3 4 1 67 238.336 4 ↓
Hi High (pH 8-9.5) 0.31 0.27 -7.48 2 4 0 65 237.328 4 ↓

Analogs

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Popular Name: (1S)-1-[5-(5-ethyl-2-thienyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-(5-ethyl-2-thienyl)-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) 0.31 0.63 -43.93 3 4 1 67 238.336 4 ↓
Hi High (pH 8-9.5) 0.31 0.3 -6.19 2 4 0 65 237.328 4 ↓

Analogs

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Popular Name: (1S)-1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-(2-thienyl)-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) -0.49 -0.99 -44.45 3 4 1 67 210.282 3 ↓
Hi High (pH 8-9.5) -0.49 -1.34 -8.14 2 4 0 65 209.274 3 ↓

Analogs

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Popular Name: (1R)-1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-1-[5-(2-thienyl)-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) -0.49 -0.99 -44.45 3 4 1 67 210.282 3 ↓
Hi High (pH 8-9.5) -0.49 -1.32 -6.92 2 4 0 65 209.274 3 ↓

Analogs

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Popular Name: (1S)-1-[5-(5-methyl-2-thienyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-(5-methyl-2-thienyl)-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) -0.27 -0.16 -44.18 3 4 1 67 224.309 3 ↓
Hi High (pH 8-9.5) -0.27 -0.48 -6.68 2 4 0 65 223.301 3 ↓

Analogs

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Popular Name: (1R)-1-[5-(5-methyl-2-thienyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-1-[5-(5-methyl-2-thienyl)-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) -0.27 -0.16 -44.24 3 4 1 67 224.309 3 ↓
Hi High (pH 8-9.5) -0.27 -0.52 -7.9 2 4 0 65 223.301 3 ↓

Analogs

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Popular Name: (1S)-1-[5-(3-methyl-2-thienyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-(3-methyl-2-thienyl)-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) -0.11 0.06 -44.18 3 4 1 67 224.309 3 ↓
Hi High (pH 8-9.5) -0.11 -0.26 -6.88 2 4 0 65 223.301 3 ↓

Analogs

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Popular Name: (1R)-1-[5-(3-methyl-2-thienyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-1-[5-(3-methyl-2-thienyl)-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) -0.11 0.06 -44.15 3 4 1 67 224.309 3 ↓
Hi High (pH 8-9.5) -0.11 -0.31 -8.14 2 4 0 65 223.301 3 ↓

Analogs

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Popular Name: (1S)-1-[5-(5-bromo-2-thienyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-(5-bromo-2-thienyl)-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 -0.26 -44.49 3 4 1 67 289.178 3 ↓
Hi High (pH 8-9.5) 0.44 -0.58 -4.31 2 4 0 65 288.17 3 ↓

Analogs

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Popular Name: (1R)-1-[5-(5-bromo-2-thienyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-1-[5-(5-bromo-2-thienyl)-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 -0.26 -44.5 3 4 1 67 289.178 3 ↓
Hi High (pH 8-9.5) 0.44 -0.62 -5.48 2 4 0 65 288.17 3 ↓

Analogs

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Popular Name: (1S)-1-[5-(5-chloro-2-thienyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-(5-chloro-2-thienyl)-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) 0.31 -0.36 -44.33 3 4 1 67 244.727 3 ↓
Hi High (pH 8-9.5) 0.31 -0.68 -4.37 2 4 0 65 243.719 3 ↓

Analogs

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Popular Name: (1R)-1-[5-(5-chloro-2-thienyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-1-[5-(5-chloro-2-thienyl)-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) 0.31 -0.36 -44.38 3 4 1 67 244.727 3 ↓
Hi High (pH 8-9.5) 0.31 -0.73 -5.54 2 4 0 65 243.719 3 ↓

Analogs

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Popular Name: (1R)-1-[5-(5-ethyl-2-thienyl)-1,3,4-oxadiazol-2-yl]-N-methyl-propan-1-amine (1R)-1-[5-(5-ethyl-2-thienyl)-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) 2.56 2.39 -39.11 2 4 1 56 252.363 5 ↓
Hi High (pH 8-9.5) 2.56 1.04 -8.3 1 4 0 51 251.355 5 ↓

Analogs

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Popular Name: (1S)-1-[5-(5-ethyl-2-thienyl)-1,3,4-oxadiazol-2-yl]-N-methyl-propan-1-amine (1S)-1-[5-(5-ethyl-2-thienyl)-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) 2.56 2.38 -39 2 4 1 56 252.363 5 ↓
Hi High (pH 8-9.5) 2.56 1.35 -6.19 1 4 0 51 251.355 5 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-N-methyl-1-[5-(2-thienyl)-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) 1.76 0.76 -39.61 2 4 1 56 224.309 4 ↓
Hi High (pH 8-9.5) 1.76 -0.27 -6.93 1 4 0 51 223.301 4 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-N-methyl-1-[5-(2-thienyl)-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) 1.76 0.77 -39.63 2 4 1 56 224.309 4 ↓
Hi High (pH 8-9.5) 1.76 -0.58 -9.06 1 4 0 51 223.301 4 ↓

Analogs

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Popular Name: (2R)-3-[[5-(5-bromo-2-thienyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-formamido-propanoic (2R)-3-[[5-(5-bromo-2-thienyl)-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) -0.48 1.66 -52.07 1 7 -1 108 391.248 7 ↓

Analogs

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Popular Name: (2S)-3-[[5-(5-bromo-2-thienyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-formamido-propanoic (2S)-3-[[5-(5-bromo-2-thienyl)-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) -0.48 1.66 -52.38 1 7 -1 108 391.248 7 ↓

Analogs

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Popular Name: (2R)-2-formamido-3-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic (2R)-2-formamido-3-[[5-(2-thieny…

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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 1 -54.59 1 7 -1 108 312.352 7 ↓

Analogs

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Popular Name: (2S)-2-formamido-3-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic (2S)-2-formamido-3-[[5-(2-thieny…

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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 0.87 -56.11 1 7 -1 108 312.352 7 ↓

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) 1.30 0.81 -9.38 2 6 0 91 378.273 7 ↓
Lo Low (pH 4.5-6) 1.30 1.16 -46.75 3 6 1 93 379.281 7 ↓

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) 1.30 0.87 -9.45 2 6 0 91 378.273 7 ↓
Lo Low (pH 4.5-6) 1.30 1.16 -45.82 3 6 1 93 379.281 7 ↓

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) 0.36 0.08 -11.82 2 6 0 91 299.377 7 ↓
Lo Low (pH 4.5-6) 0.36 0.42 -48.08 3 6 1 93 300.385 7 ↓

Parameters Provided:

ring.id = 9985
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 = 9985 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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