UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,4-oxadiazole, 5-(chloromethyl)-3-(2-naphthalenyl)- 1,2,4-oxadiazole, 5-(chloromethy…

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) 3.81 6.53 -8.74 0 3 0 39 244.681 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-chloroethyl)-3-(2-naphthyl)-1,2,4-oxadiazole 5-(2-chloroethyl)-3-(2-naphthyl)…

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) 4.01 7.33 -7.65 0 3 0 39 258.708 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1-chloroethyl]-3-(2-naphthyl)-1,2,4-oxadiazole 5-[(1S)-1-chloroethyl]-3-(2-naph…

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) 4.17 7.22 -7.86 0 3 0 39 258.708 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-chloroethyl]-3-(2-naphthyl)-1,2,4-oxadiazole 5-[(1R)-1-chloroethyl]-3-(2-naph…

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) 4.17 7.22 -7.84 0 3 0 39 258.708 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-chloropropyl)-3-(2-naphthyl)-1,2,4-oxadiazole 5-(3-chloropropyl)-3-(2-naphthyl…

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) 4.29 8.1 -10.17 0 3 0 39 272.735 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[3-(2-naphthyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine 5-[3-(2-naphthyl)-1,2,4-oxadiazo…

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) 3.26 6.41 -49.58 3 4 1 67 282.367 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 2.37 6.02 -49.94 3 4 1 67 282.367 4 ↓
Hi High (pH 8-9.5) 2.37 5.71 -8.08 2 4 0 65 281.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 2.37 6.01 -50.04 3 4 1 67 282.367 4 ↓
Hi High (pH 8-9.5) 2.37 5.73 -6.78 2 4 0 65 281.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: C-(3-Naphthalen-2-yl-[1,2,4]oxadiazol-5-yl)-methylamine C-(3-Naphthalen-2-yl-[1,2,4]oxad…

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) 2.41 3.32 -53.35 3 4 1 67 226.259 2 ↓
Hi High (pH 8-9.5) 2.41 2.91 -8.83 2 4 0 65 225.251 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2-naphthyl)-1,2,4-oxadiazol-5-yl]ethanamine 2-[3-(2-naphthyl)-1,2,4-oxadiazo…

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) 2.21 4.07 -54.64 3 4 1 67 240.286 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.51 5.99 -54.45 3 4 1 67 300.407 5 ↓
Hi High (pH 8-9.5) 1.51 5.66 -9.79 2 4 0 65 299.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.51 5.99 -54.44 3 4 1 67 300.407 5 ↓
Hi High (pH 8-9.5) 1.51 5.69 -8.43 2 4 0 65 299.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-amino-1-[3-(2-naphthyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1S,2S)-1-amino-1-[3-(2-naphthyl…

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) 0.45 1.46 -53.65 4 5 1 87 270.312 3 ↓
Mid Mid (pH 6-8) 0.45 1.18 -9.32 3 5 0 85 269.304 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-amino-1-[3-(2-naphthyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1S,2R)-1-amino-1-[3-(2-naphthyl…

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) 0.45 1.9 -54.03 4 5 1 87 270.312 3 ↓
Mid Mid (pH 6-8) 0.45 1.63 -9.22 3 5 0 85 269.304 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-amino-1-[3-(2-naphthyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1R,2S)-1-amino-1-[3-(2-naphthyl…

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) 0.45 1.8 -53.99 4 5 1 87 270.312 3 ↓
Mid Mid (pH 6-8) 0.45 1.47 -10.94 3 5 0 85 269.304 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-amino-1-[3-(2-naphthyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1R,2R)-1-amino-1-[3-(2-naphthyl…

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) 0.45 1.46 -53.64 4 5 1 87 270.312 3 ↓
Mid Mid (pH 6-8) 0.45 1.14 -10.97 3 5 0 85 269.304 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.84 5.25 -49.31 3 4 1 67 268.34 3 ↓
Hi High (pH 8-9.5) 1.84 4.97 -6.92 2 4 0 65 267.332 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.84 5.36 -48.4 3 4 1 67 268.34 3 ↓
Hi High (pH 8-9.5) 1.84 5.03 -8.19 2 4 0 65 267.332 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(2-naphthyl)-1,2,4-oxadiazol-5-yl]propan-1-amine 3-[3-(2-naphthyl)-1,2,4-oxadiazo…

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) 2.48 4.85 -52.51 3 4 1 67 254.313 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 2.79 5.19 -47.17 2 4 1 56 240.286 3 ↓
Hi High (pH 8-9.5) 2.79 3.75 -8.1 1 4 0 51 239.278 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-methyl-1-[3-(2-naphthyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (1S,2R)-2-methyl-1-[3-(2-naphthy…

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) 2.34 5.98 -49.83 3 4 1 67 282.367 4 ↓
Hi High (pH 8-9.5) 2.34 5.7 -6.82 2 4 0 65 281.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 2.34 5.89 -50.27 3 4 1 67 282.367 4 ↓
Hi High (pH 8-9.5) 2.34 5.63 -6.85 2 4 0 65 281.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 2.34 5.89 -50.27 3 4 1 67 282.367 4 ↓
Hi High (pH 8-9.5) 2.34 5.59 -8.09 2 4 0 65 281.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methyl-1-[3-(2-naphthyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (1R,2S)-2-methyl-1-[3-(2-naphthy…

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) 2.34 6.01 -49.73 3 4 1 67 282.367 4 ↓
Hi High (pH 8-9.5) 2.34 5.67 -8.17 2 4 0 65 281.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-[3-(2-naphthyl)-1,2,4-oxadiazol-5-yl]ethanol (2R)-2-amino-2-[3-(2-naphthyl)-1…

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 0.68 -46.23 4 5 1 87 256.285 3 ↓
Mid Mid (pH 6-8) 0.09 0.34 -8.41 3 5 0 85 255.277 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-[3-(2-naphthyl)-1,2,4-oxadiazol-5-yl]ethanol (2S)-2-amino-2-[3-(2-naphthyl)-1…

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 0.68 -46.21 4 5 1 87 256.285 3 ↓
Mid Mid (pH 6-8) 0.09 0.28 -8.35 3 5 0 85 255.277 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.60 4.76 -48.75 3 4 1 67 254.313 3 ↓
Hi High (pH 8-9.5) 1.60 4.43 -8.15 2 4 0 65 253.305 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.60 4.76 -48.7 3 4 1 67 254.313 3 ↓
Hi High (pH 8-9.5) 1.60 4.47 -7 2 4 0 65 253.305 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 2.42 5.75 -49.01 3 4 1 67 282.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 2.42 5.74 -48.98 3 4 1 67 282.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-(2-naphthyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (1S)-1-[3-(2-naphthyl)-1,2,4-oxa…

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) 2.66 6.31 -50.63 3 4 1 67 282.367 5 ↓
Hi High (pH 8-9.5) 2.66 6.02 -6.91 2 4 0 65 281.359 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-(2-naphthyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (1R)-1-[3-(2-naphthyl)-1,2,4-oxa…

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) 2.66 6.31 -50.63 3 4 1 67 282.367 5 ↓
Hi High (pH 8-9.5) 2.66 5.98 -8.03 2 4 0 65 281.359 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[3-(2-naphthyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (2S)-2-[3-(2-naphthyl)-1,2,4-oxa…

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) 4.48 5.96 -46.52 3 4 1 67 282.367 4 ↓
Hi High (pH 8-9.5) 4.48 5.7 -8.06 2 4 0 65 281.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[3-(2-naphthyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (2R)-2-[3-(2-naphthyl)-1,2,4-oxa…

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) 4.48 5.95 -46.62 3 4 1 67 282.367 4 ↓
Hi High (pH 8-9.5) 4.48 5.7 -6.64 2 4 0 65 281.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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 5.53 -50.11 3 4 1 67 268.34 4 ↓
Hi High (pH 8-9.5) 2.16 5.2 -8.11 2 4 0 65 267.332 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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 5.53 -50.09 3 4 1 67 268.34 4 ↓
Hi High (pH 8-9.5) 2.16 5.24 -6.94 2 4 0 65 267.332 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 3.46 6.58 -44.1 2 4 1 56 268.34 4 ↓
Hi High (pH 8-9.5) 3.46 5.35 -7.75 1 4 0 51 267.332 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[3-(2-naphthyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine N-[2-[3-(2-naphthyl)-1,2,4-oxadi…

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) 3.87 7.33 -47.29 2 4 1 56 282.367 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[[3-(2-naphthyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine (2R)-N-[[3-(2-naphthyl)-1,2,4-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) 4.00 7.39 -43.71 2 4 1 56 282.367 5 ↓
Hi High (pH 8-9.5) 4.00 6.33 -7.56 1 4 0 51 281.359 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[[3-(2-naphthyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine (2S)-N-[[3-(2-naphthyl)-1,2,4-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) 4.00 7.39 -43.75 2 4 1 56 282.367 5 ↓
Hi High (pH 8-9.5) 4.00 6.17 -7.59 1 4 0 51 281.359 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-2-[3-(2-naphthyl)-1,2,4-oxadiazol-5-yl]ethanamine N-ethyl-2-[3-(2-naphthyl)-1,2,4-…

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) 3.22 6.8 -48.34 2 4 1 56 268.34 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 3.90 6.05 -51.18 3 4 1 67 282.367 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 3.35 5.65 -44.37 2 4 1 56 254.313 3 ↓
Hi High (pH 8-9.5) 3.35 4.36 -7.33 1 4 0 51 253.305 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 3.35 5.66 -44.4 2 4 1 56 254.313 3 ↓
Hi High (pH 8-9.5) 3.35 4.42 -8.43 1 4 0 51 253.305 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 2.54 4.7 -54.07 3 4 1 67 254.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 2.54 4.7 -54.09 3 4 1 67 254.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.97 3.83 -52.53 3 5 1 76 284.339 5 ↓
Hi High (pH 8-9.5) 0.97 3.49 -9.61 2 5 0 74 283.331 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.97 3.83 -52.54 3 5 1 76 284.339 5 ↓
Hi High (pH 8-9.5) 0.97 3.53 -8.41 2 5 0 74 283.331 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-amino-3-[3-(2-naphthyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (3R)-3-amino-3-[3-(2-naphthyl)-1…

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) 0.36 1.41 -53.19 4 5 1 87 270.312 4 ↓
Hi High (pH 8-9.5) 0.36 1.12 -9.33 3 5 0 85 269.304 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-amino-3-[3-(2-naphthyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (3S)-3-amino-3-[3-(2-naphthyl)-1…

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) 0.36 1.42 -53.24 4 5 1 87 270.312 4 ↓
Hi High (pH 8-9.5) 0.36 1.09 -10.74 3 5 0 85 269.304 4 ↓

Parameters Provided:

ring.id = 126570
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 = 126570 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=126570&filter.purchasability=annotated

Embed Link to Results