Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_7tk3784c4f2bgkii9mib1delj6, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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) 1.53 6.32 -51.19 1 6 1 70 296.372 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]urea 1-ethyl-3-[[3-(3-thienyl)-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) 1.22 0.36 -10.61 2 6 0 80 252.299 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-butyl-3-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]urea 1-butyl-3-[[3-(3-thienyl)-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) 2.28 1.89 -10.38 2 6 0 80 280.353 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-3-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]urea 1-methyl-3-[[3-(3-thienyl)-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) 0.84 -0.49 -11.19 2 6 0 80 238.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isobutyl-3-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]urea 1-isobutyl-3-[[3-(3-thienyl)-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) 1.97 1.87 -10.21 2 6 0 80 280.353 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-propyl-3-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]urea 1-propyl-3-[[3-(3-thienyl)-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) 1.72 1.11 -10.47 2 6 0 80 266.326 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyethyl)-3-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]urea 1-(2-methoxyethyl)-3-[[3-(3-thie…

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) 0.83 -0.56 -11.23 2 7 0 89 282.325 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,2,2-trifluoroethyl)urea 1-[[3-(3-thienyl)-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) 1.77 0.82 -10.12 2 6 0 80 306.269 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-methoxyethylamino)-2-oxo-ethyl]-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanamide N-[2-(2-methoxyethylamino)-2-oxo…

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) 0.78 0.01 -14.1 2 8 0 106 338.389 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (2S)-2-[3-(3-thienyl)-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) 2.89 2.54 -45.46 3 4 1 67 238.336 4 ↓
Hi High (pH 8-9.5) 2.89 2.28 -8.1 2 4 0 65 237.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (2R)-2-[3-(3-thienyl)-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) 2.89 2.52 -45.56 3 4 1 67 238.336 4 ↓
Hi High (pH 8-9.5) 2.89 2.27 -6.68 2 4 0 65 237.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]ethane-1,2-diamine N-methyl-N-[[3-(3-thienyl)-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) 0.24 2.12 -126.02 4 5 2 71 240.332 5 ↓
Mid Mid (pH 6-8) 0.24 -0.22 -51.77 3 5 1 70 239.324 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[3-(3-thienyl)-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) 2.31 4.08 -45.87 2 4 1 56 238.336 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 3.21 4.59 -7.08 0 3 0 39 273.155 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 3.21 4.59 -7.09 0 3 0 39 273.155 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(dimethylamino)-2-oxo-ethyl]-N-methyl-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanamide N-[2-(dimethylamino)-2-oxo-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) 0.34 4.35 -18.21 0 7 0 80 322.39 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) -0.93 3.38 -54.22 1 7 -1 108 312.352 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) -0.93 3.24 -54.7 1 7 -1 108 312.352 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) 0.86 2.46 -11.9 2 6 0 91 299.377 7 ↓
Lo Low (pH 4.5-6) 0.86 2.81 -48.56 3 6 1 93 300.385 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) 0.86 2.53 -11.7 2 6 0 91 299.377 7 ↓
Lo Low (pH 4.5-6) 0.86 2.82 -48.37 3 6 1 93 300.385 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]butan-1-amine 4-[3-(3-thienyl)-1,2,4-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) 1.16 2.21 -51.1 3 4 1 67 224.309 5 ↓

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) 1.43 1.1 -15.51 2 8 0 106 338.389 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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) 1.99 2.5 -13.7 2 8 0 106 338.389 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.22 4 -121.86 3 5 2 60 254.359 6 ↓
Hi High (pH 8-9.5) 1.22 2.54 -42.79 2 5 1 55 253.351 6 ↓
Mid Mid (pH 6-8) 1.22 1.65 -47.05 2 5 1 59 253.351 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-methylbutyl]-3-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]urea 1-[(1R)-1-methylbutyl]-3-[[3-(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) 2.61 2.91 -10.27 2 6 0 80 294.38 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-methylbutyl]-3-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]urea 1-[(1S)-1-methylbutyl]-3-[[3-(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) 2.61 2.91 -10.31 2 6 0 80 294.38 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-methoxypropyl)-3-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]urea 1-(3-methoxypropyl)-3-[[3-(3-thi…

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) 1.10 0.17 -11.26 2 7 0 89 296.352 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-methylpropyl]-3-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]urea 1-[(1R)-1-methylpropyl]-3-[[3-(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) 2.05 2.14 -10.43 2 6 0 80 280.353 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-methylpropyl]-3-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]urea 1-[(1S)-1-methylpropyl]-3-[[3-(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) 2.05 2.14 -10.45 2 6 0 80 280.353 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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 3.28 -12.53 1 6 0 77 293.348 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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 3.29 -12.47 1 6 0 77 293.348 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-bromoallyl)-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanamide N-(2-bromoallyl)-3-[3-(3-thienyl…

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 3.61 -10.92 1 5 0 68 342.218 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[isopropyl(methyl)amino]-N-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide 2-[isopropyl(methyl)amino]-N-[[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) 1.72 3.6 -39.87 2 6 1 72 295.388 6 ↓
Hi High (pH 8-9.5) 1.72 1.38 -9.99 1 6 0 71 294.38 6 ↓

Analogs

48325735
48325735
48325736
48325736

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) 1.39 4.3 -52.82 2 6 1 82 282.345 8 ↓
Hi High (pH 8-9.5) 1.39 2.95 -10.8 1 6 0 77 281.337 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyanomethyl)-N-ethyl-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanamide N-(cyanomethyl)-N-ethyl-3-[3-(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) 1.60 5.24 -15.91 0 6 0 83 290.348 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[isopropyl-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]amino]butanoic 4-[isopropyl-[[3-(3-thienyl)-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) 1.90 7.5 -59.48 1 6 0 83 309.391 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[tert-butyl-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanoic 3-[tert-butyl-[[3-(3-thienyl)-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) 2.14 7.47 -45.81 1 6 0 83 309.391 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-methylpropyl]-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic 2-[[(1R)-1-methylpropyl]-[[3-(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) 0.98 6.49 -37.86 1 6 0 83 295.364 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S)-1-methylpropyl]-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic 2-[[(1S)-1-methylpropyl]-[[3-(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) 0.98 6.3 -38.32 1 6 0 83 295.364 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2,2-trifluoroethyl 2,2,2-trifluoroethyl

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) 2.56 5.45 -10.2 0 5 0 65 306.265 7 ↓

Parameters Provided:

ring.id = 10131
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 = 10131 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=10131&filter.purchasability=annotated

Embed Link to Results