UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.40 2.82 -49.7 1 7 1 83 280.304 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.33 3.57 -48.99 1 7 1 83 359.2 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(2-furyl)-1,3,4-oxadiazol-2-yl]methyl]-N-isobutyl-2-methyl-propan-1-amine N-[[5-(2-furyl)-1,3,4-oxadiazol-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.55 4.5 -38.07 1 5 1 57 278.376 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[[5-(2-furyl)-1,3,4-oxadiazol-2-yl]methyl]butan-1-amine N-ethyl-N-[[5-(2-furyl)-1,3,4-ox…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.12 3.37 -39.47 1 5 1 57 250.322 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(5-bromo-2-furyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-ethane-1,2-diamine N-[[5-(5-bromo-2-furyl)-1,3,4-ox…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.04 -0.64 -123.85 4 6 2 84 303.16 5 ↓
Mid Mid (pH 6-8) 0.04 -2.96 -50.07 3 6 1 83 302.152 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(2-furyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-ethane-1,2-diamine N-[[5-(2-furyl)-1,3,4-oxadiazol-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 -1.35 -124.17 4 6 2 84 224.264 5 ↓
Mid Mid (pH 6-8) -0.89 -3.69 -52.03 3 6 1 83 223.256 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.54 2.53 -48.57 0 6 -1 92 332.155 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.54 2.5 -48.41 0 6 -1 92 332.155 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[5-(5-bromo-2-furyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic 3-[[5-(5-bromo-2-furyl)-1,3,4-ox…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.45 2.67 -44.74 0 6 -1 92 332.155 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.51 1.95 -47.23 0 6 -1 92 253.259 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.16 -0.36 -59.16 4 9 1 129 322.345 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.01 1.97 -5.68 0 4 0 52 335.983 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.01 1.97 -5.67 0 4 0 52 335.983 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.16 1.95 -8.35 0 7 0 98 302.084 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-bromopropyl]-5-(5-nitro-2-furyl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(5-nitr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.16 1.95 -8.37 0 7 0 98 302.084 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.08 1.25 -7.96 0 4 0 52 257.087 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.08 1.25 -7.94 0 4 0 52 257.087 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.45 2.29 -8.03 0 4 0 52 271.114 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-bromopropyl]-5-(3-methyl-2-furyl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(3-meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.45 2.29 -8.01 0 4 0 52 271.114 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.30 2.07 -7.6 0 4 0 52 271.114 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-bromopropyl]-5-(5-methyl-2-furyl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(5-meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.30 2.07 -7.58 0 4 0 52 271.114 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.20 -1.27 -44.97 3 5 1 80 273.11 3 ↓
Hi High (pH 8-9.5) -0.20 -1.59 -5.22 2 5 0 78 272.102 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.20 -1.27 -45.02 3 5 1 80 273.11 3 ↓
Hi High (pH 8-9.5) -0.20 -1.63 -6.36 2 5 0 78 272.102 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -1.05 -1.29 -50.23 3 8 1 126 239.211 4 ↓
Hi High (pH 8-9.5) -1.05 -1.61 -7.89 2 8 0 124 238.203 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -1.05 -1.29 -50.29 3 8 1 126 239.211 4 ↓
Hi High (pH 8-9.5) -1.05 -1.66 -8.9 2 8 0 124 238.203 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -1.13 -1.99 -45.46 3 5 1 80 194.214 3 ↓
Hi High (pH 8-9.5) -1.13 -2.35 -8.72 2 5 0 78 193.206 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -1.13 -1.99 -45.51 3 5 1 80 194.214 3 ↓
Hi High (pH 8-9.5) -1.13 -2.32 -7.48 2 5 0 78 193.206 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 -1.17 -45.15 3 5 1 80 208.241 3 ↓
Hi High (pH 8-9.5) -0.91 -1.49 -7.21 2 5 0 78 207.233 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 -1.17 -45.15 3 5 1 80 208.241 3 ↓
Hi High (pH 8-9.5) -0.91 -1.53 -8.46 2 5 0 78 207.233 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.75 -0.95 -45.35 3 5 1 80 208.241 3 ↓
Hi High (pH 8-9.5) -0.75 -1.27 -7.56 2 5 0 78 207.233 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.75 -0.95 -45.4 3 5 1 80 208.241 3 ↓
Hi High (pH 8-9.5) -0.75 -1.31 -8.83 2 5 0 78 207.233 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(5-bromo-2-furyl)-1,3,4-oxadiazol-2-yl]-N-methyl-propan-1-amine (1S)-1-[5-(5-bromo-2-furyl)-1,3,…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.06 0.48 -39.96 2 5 1 69 287.137 4 ↓
Hi High (pH 8-9.5) 2.06 -0.55 -5.12 1 5 0 64 286.129 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(5-bromo-2-furyl)-1,3,4-oxadiazol-2-yl]-N-methyl-propan-1-amine (1R)-1-[5-(5-bromo-2-furyl)-1,3,…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.06 0.49 -39.98 2 5 1 69 287.137 4 ↓
Hi High (pH 8-9.5) 2.06 -0.86 -7 1 5 0 64 286.129 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-N-methyl-1-[5-(5-nitro-2-fu…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.21 0.46 -45.03 2 8 1 114 253.238 5 ↓
Hi High (pH 8-9.5) 1.21 -1.1 -8.4 1 8 0 110 252.23 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-N-methyl-1-[5-(5-nitro-2-fu…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.21 0.46 -45.06 2 8 1 114 253.238 5 ↓
Hi High (pH 8-9.5) 1.21 -1.09 -9.16 1 8 0 110 252.23 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]-N-methyl-propan-1-amine (1S)-1-[5-(2-furyl)-1,3,4-oxadia…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 -0.24 -40.56 2 5 1 69 208.241 4 ↓
Hi High (pH 8-9.5) 1.12 -1.28 -7.45 1 5 0 64 207.233 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]-N-methyl-propan-1-amine (1R)-1-[5-(2-furyl)-1,3,4-oxadia…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 -0.24 -40.59 2 5 1 69 208.241 4 ↓
Hi High (pH 8-9.5) 1.12 -1.58 -9.52 1 5 0 64 207.233 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -2.06 -0.01 -55.08 1 8 -1 121 296.284 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -2.06 -0.14 -56.45 1 8 -1 121 296.284 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 0.66 -53.33 1 8 -1 121 375.18 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 0.65 -53.21 1 8 -1 121 375.18 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 -0.93 -12.5 2 7 0 104 283.309 7 ↓
Lo Low (pH 4.5-6) -0.28 -0.58 -48.75 3 7 1 106 284.317 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 -0.87 -12.51 2 7 0 104 283.309 7 ↓
Lo Low (pH 4.5-6) -0.28 -0.58 -47.82 3 7 1 106 284.317 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.66 -0.19 -10.11 2 7 0 104 362.205 7 ↓
Lo Low (pH 4.5-6) 0.66 0.14 -46.96 3 7 1 106 363.213 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.66 -0.18 -10.3 2 7 0 104 362.205 7 ↓
Lo Low (pH 4.5-6) 0.66 0.15 -46.34 3 7 1 106 363.213 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.10 0.01 -12.03 2 7 0 104 297.336 8 ↓
Mid Mid (pH 6-8) 0.10 0.35 -48.49 3 7 1 106 298.344 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.10 0.03 -12.22 2 7 0 104 297.336 8 ↓
Mid Mid (pH 6-8) 0.10 0.35 -47.49 3 7 1 106 298.344 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[[5-(5-bromo-2-furyl)-1,3,4-oxadiazol-2-yl]methyl-methyl-amino]-2-methyl-propanenitrile (2S)-3-[[5-(5-bromo-2-furyl)-1,3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.77 2.97 -53.07 1 6 1 80 326.174 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[[5-(5-bromo-2-furyl)-1,3,4-oxadiazol-2-yl]methyl-methyl-amino]-2-methyl-propanenitrile (2R)-3-[[5-(5-bromo-2-furyl)-1,3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.77 2.88 -52.33 1 6 1 80 326.174 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[[5-(2-furyl)-1,3,4-oxadiazol-2-yl]methyl]-N,N'-dimethyl-ethane-1,2-diamine N'-[[5-(2-furyl)-1,3,4-oxadiazol…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.09 0.51 -119.83 3 6 2 73 238.291 6 ↓
Hi High (pH 8-9.5) 0.09 -0.93 -41.38 2 6 1 69 237.283 6 ↓
Mid Mid (pH 6-8) 0.09 -1.81 -47.26 2 6 1 72 237.283 6 ↓

Parameters Provided:

ring.id = 10015
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 = 10015 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=10015&filter.purchasability=annotated

Embed Link to Results