UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-(1-(3-(p-tolyl)-1,2,4-oxadiazol-5-yl)ethyl)benzamide 2-methyl-N-(1-(3-(p-tolyl)-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) 4.05 -0.75 -8.55 1 5 0 68 321.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-(1-(3-(p-tolyl)-1,2,4-oxadiazol-5-yl)ethyl)benzamide 2-methyl-N-(1-(3-(p-tolyl)-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) 4.05 -0.75 -8.54 1 5 0 68 321.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-benzamide N-[[3-(2-methoxyphenyl)-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) 3.05 -1.32 -11.17 1 6 0 77 323.352 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-((3-(o-tolyl)-1,2,4-oxadiazol-5-yl)methyl)benzamide 2-fluoro-N-((3-(o-tolyl)-1,2,4-o…

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) 3.15 -0.7 -12.41 1 5 0 68 311.316 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide N-allyl-N-[(3-phenyl-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) 3.06 8.46 -12.38 0 5 0 59 319.364 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-3,4-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide N-allyl-3,4-dimethyl-N-[(3-pheny…

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) 3.88 1.41 -12.24 0 5 0 59 347.418 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N-methyl-N-[[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide 3-methoxy-N-methyl-N-[[3-(m-toly…

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) 2.87 0.29 -13.4 0 6 0 68 337.379 5 ↓

Analogs

6697844
6697844

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-benzamide N-[[3-(4-chlorophenyl)-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) 3.47 8.46 -11.48 0 5 0 59 341.798 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-propoxy-benzamide N-[(3-phenyl-1,2,4-oxadiazol-5-y…

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) 3.57 -1.7 -9.77 1 6 0 77 337.379 7 ↓

Analogs

6697397
6697397

Draw Identity 99% 90% 80% 70%

Popular Name: 3-Chloro-N-methyl-N-((3-(p-tolyl)-1,2,4-oxadiazol-5-yl)methyl)benzamide 3-Chloro-N-methyl-N-((3-(p-tolyl…

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) 3.51 8.22 -14.64 0 5 0 59 341.798 4 ↓

Analogs

6697051
6697051

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide 4-methoxy-N-methyl-N-[(3-phenyl-…

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) 2.47 -0.03 -14.56 0 6 0 68 323.352 5 ↓

Analogs

6697435
6697435

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide 2-fluoro-N-methyl-N-[(3-phenyl-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) 2.53 0.76 -17.79 0 5 0 59 311.316 4 ↓

Analogs

4851360
4851360

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,5-dimethyl-benzamide N-[[3-(4-methoxyphenyl)-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) 3.52 -1.15 -9.48 1 6 0 77 337.379 5 ↓

Analogs

6697051
6697051

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-benzamide N-[[3-(4-methoxyphenyl)-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) 2.47 6.38 -14.82 0 6 0 68 323.352 5 ↓

Analogs

7759972
7759972
7759977
7759977

Draw Identity 99% 90% 80% 70%

Popular Name: N,2,5-trimethyl-N-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide N,2,5-trimethyl-N-[[3-(p-tolyl)-…

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) 3.69 0.89 -12.17 0 5 0 59 335.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-N-((3-(m-tolyl)-1,2,4-oxadiazol-5-yl)methyl)benzamide 2-ethoxy-N-((3-(m-tolyl)-1,2,4-o…

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 -0.77 -12.04 1 6 0 77 337.379 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-benzamide 2-fluoro-N-[[3-(4-methoxyphenyl)…

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) 2.58 0.68 -18.03 0 6 0 68 341.342 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide N-ethyl-N-[(3-phenyl-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) 2.79 0.31 -13.15 0 5 0 59 307.353 5 ↓

Analogs

6697888
6697888

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide 3-fluoro-N-methyl-N-[(3-phenyl-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) 2.55 0.67 -15.74 0 5 0 59 311.316 4 ↓

Analogs

4858144
4858144

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide 3,5-dimethyl-N-[(3-phenyl-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) 3.46 -1.18 -9.17 1 5 0 68 307.353 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-3,4-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide N-ethyl-3,4-dimethyl-N-[(3-pheny…

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) 3.61 0.93 -13.3 0 5 0 59 335.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-methyl-N-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide 2-chloro-4-methyl-N-[[3-(p-tolyl…

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) 4.14 -1.3 -10.08 1 5 0 68 341.798 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-methyl-N-[[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide 3-chloro-N-methyl-N-[[3-(m-tolyl…

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) 3.49 0.12 -11.98 0 5 0 59 341.798 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropylsulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide 2-isopropylsulfanyl-N-[(3-phenyl…

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) 3.76 7.52 -11.05 1 5 0 68 353.447 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-benzamide N-[[3-(3-chlorophenyl)-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) 3.85 6.21 -12.44 1 6 0 77 343.77 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,5-dimethoxy-benzamide N-[[3-(3-chlorophenyl)-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) 3.33 4.26 -11.51 1 7 0 86 373.796 6 ↓

Analogs

20888844
20888844

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-(3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl)ethyl)-2-fluorobenzamide N-(1-(3-(2-chlorophenyl)-1,2,4-o…

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) 3.94 6.78 -14.73 1 5 0 68 345.761 4 ↓

Analogs

20888840
20888840

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-(3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl)ethyl)-2-fluorobenzamide N-(1-(3-(2-chlorophenyl)-1,2,4-o…

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) 3.94 6.78 -14.72 1 5 0 68 345.761 4 ↓

Analogs

20888860
20888860

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-N-[(1R)-1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide 4-tert-butyl-N-[(1R)-1-[3-(3,4-d…

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) 4.55 7.61 -12.05 1 7 0 86 409.486 7 ↓

Analogs

20888856
20888856

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-N-[(1S)-1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide 4-tert-butyl-N-[(1S)-1-[3-(3,4-d…

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) 4.55 7.61 -12.09 1 7 0 86 409.486 7 ↓

Analogs

20888876
20888876

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-chloro-benzamide N-[(1R)-1-[3-(4-tert-butylphenyl…

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) 5.56 8.87 -8.47 1 5 0 68 383.879 5 ↓

Analogs

20888872
20888872

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-chloro-benzamide N-[(1S)-1-[3-(4-tert-butylphenyl…

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) 5.56 8.87 -8.48 1 5 0 68 383.879 5 ↓

Analogs

20888884
20888884

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methyl-benzamide N-[(1R)-1-[3-(4-tert-butylphenyl…

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) 5.33 9.01 -9.85 1 5 0 68 363.461 5 ↓

Analogs

20888881
20888881

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methyl-benzamide N-[(1S)-1-[3-(4-tert-butylphenyl…

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) 5.33 9.01 -9.85 1 5 0 68 363.461 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-chloro-benzamide N-[[3-(4-tert-butylphenyl)-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) 5.00 8.1 -8.35 1 5 0 68 369.852 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-((3-(4-(tert-butyl)phenyl)-1,2,4-oxadiazol-5-yl)methyl)-2-fluorobenzamide N-((3-(4-(tert-butyl)phenyl)-1,2…

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) 4.46 7.65 -12.85 1 5 0 68 353.397 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-((3-(4-(tert-butyl)phenyl)-1,2,4-oxadiazol-5-yl)methyl)-2-chlorobenzamide N-((3-(4-(tert-butyl)phenyl)-1,2…

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) 4.97 8.09 -10.8 1 5 0 68 369.852 5 ↓

Analogs

20888932
20888932

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-N-[(1R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide 4-tert-butyl-N-[(1R)-1-[3-(4-met…

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) 4.96 7.68 -10.26 1 6 0 77 379.46 6 ↓

Analogs

20888929
20888929

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide 4-tert-butyl-N-[(1S)-1-[3-(4-met…

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) 4.96 7.69 -10.18 1 6 0 77 379.46 6 ↓

Analogs

20888945
20888945

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1R)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide 4-chloro-N-[(1R)-1-[3-(2-methoxy…

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) 3.88 6.15 -12.18 1 6 0 77 357.797 5 ↓

Analogs

20888942
20888942

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1S)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide 4-chloro-N-[(1S)-1-[3-(2-methoxy…

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) 3.88 6.15 -12.18 1 6 0 77 357.797 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-N-((3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)benzamide 2-ethoxy-N-((3-(2-methoxyphenyl)…

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) 3.58 6.34 -15.39 1 7 0 86 353.378 7 ↓

Analogs

6660299
6660299

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-benzamide N-[[3-(2-methoxyphenyl)-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) 3.10 5.51 -12.5 1 6 0 77 323.352 5 ↓

Analogs

20888975
20888975
13495433
13495433
13495435
13495435

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-(1-(3-(p-tolyl)-1,2,4-oxadiazol-5-yl)ethyl)benzamide 2-fluoro-N-(1-(3-(p-tolyl)-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) 3.76 6.76 -13.91 1 5 0 68 325.343 4 ↓

Analogs

20888970
20888970

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-(1-(3-(p-tolyl)-1,2,4-oxadiazol-5-yl)ethyl)benzamide 2-fluoro-N-(1-(3-(p-tolyl)-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) 3.76 6.76 -13.91 1 5 0 68 325.343 4 ↓

Analogs

20888983
20888983
20889027
20889027
20889029
20889029
6702187
6702187
6702188
6702188

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-(3-(p-tolyl)-1,2,4-oxadiazol-5-yl)ethyl)benzamide N-(1-(3-(p-tolyl)-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) 3.65 6.68 -10.35 1 5 0 68 307.353 4 ↓

Analogs

20889027
20889027
20889029
20889029
6702187
6702187
6702188
6702188

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-(3-(p-tolyl)-1,2,4-oxadiazol-5-yl)ethyl)benzamide N-(1-(3-(p-tolyl)-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) 3.65 6.68 -10.38 1 5 0 68 307.353 4 ↓

Analogs

20888999
20888999
13495301
13495301
13495302
13495302

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1R)-1-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide 4-methyl-N-[(1R)-1-[3-(m-tolyl)-…

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) 4.07 7.34 -10.41 1 5 0 68 321.38 4 ↓

Analogs

20888995
20888995
13495301
13495301

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1S)-1-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide 4-methyl-N-[(1S)-1-[3-(m-tolyl)-…

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) 4.07 7.34 -10.41 1 5 0 68 321.38 4 ↓

Analogs

20889009
20889009

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1R)-1-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide 2-methyl-N-[(1R)-1-[3-(m-tolyl)-…

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) 4.02 7.38 -9.87 1 5 0 68 321.38 4 ↓

Parameters Provided:

ring.id = 3625
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 = 3625 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=3625&filter.purchasability=annotated

Embed Link to Results