UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(4-chlorophenyl)-3-([1,2,4]tri…

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 8.1 -12.82 2 6 0 75 287.71 1 ↓
Hi High (pH 8-9.5) 2.60 7.5 -55.14 1 6 -1 78 286.702 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(2-fluorophenyl)-3-([1,2,4]tri…

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 7.7 -13.2 2 6 0 75 271.255 1 ↓
Hi High (pH 8-9.5) 2.04 7.17 -56.52 1 6 -1 78 270.247 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(3-fluorophenyl)-3-([1,2,4]tri…

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 7.65 -15.76 2 6 0 75 271.255 1 ↓
Hi High (pH 8-9.5) 2.06 7.07 -60.68 1 6 -1 78 270.247 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea 1-([1,2,4]triazolo[4,3-a]pyridin…

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) 3.32 8.83 -12.91 2 6 0 75 321.262 2 ↓
Hi High (pH 8-9.5) 2.77 8.31 -55.38 1 6 -1 78 320.254 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea 1-([1,2,4]triazolo[4,3-a]pyridin…

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) 3.34 8.59 -15.67 2 6 0 75 321.262 2 ↓
Hi High (pH 8-9.5) 2.79 8 -59.85 1 6 -1 78 320.254 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-bromophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(4-bromophenyl)-3-([1,2,4]tria…

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) 3.28 8.2 -12.74 2 6 0 75 332.161 1 ↓
Hi High (pH 8-9.5) 2.73 7.61 -55.06 1 6 -1 78 331.153 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-difluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(2,4-difluorophenyl)-3-([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) 2.72 7.76 -11.24 2 6 0 75 289.245 1 ↓
Hi High (pH 8-9.5) 2.17 7.2 -51.43 1 6 -1 78 288.237 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-acetylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(4-acetylphenyl)-3-([1,2,4]tri…

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 8.05 -15.75 2 7 0 92 295.302 2 ↓
Hi High (pH 8-9.5) 1.82 7.52 -55.62 1 7 -1 95 294.294 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dimethylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(3,4-dimethylphenyl)-3-([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) 3.29 8.78 -14.49 2 6 0 75 281.319 1 ↓
Hi High (pH 8-9.5) 2.75 8.25 -60.12 1 6 -1 78 280.311 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(4-fluorophenyl)-3-([1,2,4]tri…

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) 2.63 7.65 -13.24 2 6 0 75 271.255 1 ↓
Hi High (pH 8-9.5) 2.08 7.05 -55.25 1 6 -1 78 270.247 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(2-methoxyphenyl)-3-([1,2,4]tr…

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 7 -14.74 2 7 0 84 283.291 2 ↓
Hi High (pH 8-9.5) 1.93 6.48 -60.27 1 7 -1 87 282.283 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(3-methoxyphenyl)-3-([1,2,4]tr…

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) 2.50 6.85 -17.23 2 7 0 84 283.291 2 ↓
Hi High (pH 8-9.5) 1.95 6.31 -58.03 1 7 -1 87 282.283 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-ethoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(2-ethoxyphenyl)-3-([1,2,4]tri…

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) 2.85 7.93 -14.54 2 7 0 84 297.318 3 ↓
Hi High (pH 8-9.5) 2.30 7.41 -60.31 1 7 -1 87 296.31 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(3-chlorophenyl)-3-([1,2,4]tri…

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) 3.12 8.1 -14.71 2 6 0 75 287.71 1 ↓
Hi High (pH 8-9.5) 2.57 7.51 -58.87 1 6 -1 78 286.702 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(2-chlorophenyl)-3-([1,2,4]tri…

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 8.21 -12.78 2 6 0 75 287.71 1 ↓
Hi High (pH 8-9.5) 2.55 7.68 -55.66 1 6 -1 78 286.702 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-ethoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(4-ethoxyphenyl)-3-([1,2,4]tri…

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) 2.90 7.77 -15 2 7 0 84 297.318 3 ↓
Hi High (pH 8-9.5) 2.35 7.23 -57.92 1 7 -1 87 296.31 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chloro-4-methyl-phenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(3-chloro-4-methyl-phenyl)-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) 3.52 8.66 -14.95 2 6 0 75 301.737 1 ↓
Hi High (pH 8-9.5) 2.97 8.13 -54.64 1 6 -1 78 300.729 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-dimethylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(3,5-dimethylphenyl)-3-([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) 3.29 8.89 -14.34 2 6 0 75 281.319 1 ↓
Hi High (pH 8-9.5) 2.75 8.35 -60.01 1 6 -1 78 280.311 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chloro-4-methyl-phenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(2-chloro-4-methyl-phenyl)-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) 3.52 8.87 -12.48 2 6 0 75 301.737 1 ↓
Hi High (pH 8-9.5) 2.97 8.35 -55.75 1 6 -1 78 300.729 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-chloro-2-methoxy-phenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(5-chloro-2-methoxy-phenyl)-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) 3.13 7.5 -14.72 2 7 0 84 317.736 2 ↓
Hi High (pH 8-9.5) 2.58 7 -59.42 1 7 -1 87 316.728 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-chloro-2-methyl-phenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(5-chloro-2-methyl-phenyl)-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) 3.52 9 -14.64 2 6 0 75 301.737 1 ↓
Hi High (pH 8-9.5) 2.97 8.43 -59.18 1 6 -1 78 300.729 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chloro-4-fluoro-phenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(3-chloro-4-fluoro-phenyl)-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) 3.24 8.15 -11.88 2 6 0 75 305.7 1 ↓
Hi High (pH 8-9.5) 2.69 7.55 -55.79 1 6 -1 78 304.692 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chloro-2-methyl-phenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(3-chloro-2-methyl-phenyl)-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) 3.50 8.87 -12.33 2 6 0 75 301.737 1 ↓
Hi High (pH 8-9.5) 2.95 8.34 -54.06 1 6 -1 78 300.729 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-ethylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(2-ethylphenyl)-3-([1,2,4]tria…

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) 3.34 9.26 -13.8 2 6 0 75 281.319 2 ↓
Hi High (pH 8-9.5) 2.79 8.68 -59.59 1 6 -1 78 280.311 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-fluoro-4-methyl-phenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(3-fluoro-4-methyl-phenyl)-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) 3.01 8.26 -16.07 2 6 0 75 285.282 1 ↓
Hi High (pH 8-9.5) 2.46 7.73 -54.28 1 6 -1 78 284.274 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-dimethoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(3,5-dimethoxyphenyl)-3-([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) 2.51 6.16 -16.78 2 8 0 93 313.317 3 ↓
Hi High (pH 8-9.5) 1.96 5.62 -62.47 1 8 -1 96 312.309 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxy-5-methyl-phenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(2-methoxy-5-methyl-phenyl)-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) 2.90 7.67 -15.13 2 7 0 84 297.318 2 ↓
Hi High (pH 8-9.5) 2.35 7.1 -61.64 1 7 -1 87 296.31 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,6-dimethylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(2,6-dimethylphenyl)-3-([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) 2.33 9.38 -14.23 2 6 0 75 281.319 1 ↓
Hi High (pH 8-9.5) 1.78 8.74 -58.97 1 6 -1 78 280.311 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-3-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(4-chlorophenyl)-3-(5-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) 3.33 7.16 -14.64 2 7 0 84 317.736 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea 1-(5-methoxy-[1,2,4]triazolo[4,3…

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) 3.50 7.96 -15.19 2 7 0 84 351.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-phenyl-urea 1-(5-methoxy-[1,2,4]triazolo[4,3…

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) 2.65 6.64 -16.03 2 7 0 84 283.291 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-methoxyphenyl)-3-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(4-methoxyphenyl)-3-(5-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) 2.71 5.93 -16.86 2 8 0 93 313.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-acetylphenyl)-3-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(4-acetylphenyl)-3-(5-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) 2.55 7.14 -17.48 2 8 0 101 325.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-ethylphenyl)-3-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(3-ethylphenyl)-3-(5-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) 3.54 8.08 -15.68 2 7 0 84 311.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-ethylphenyl)-3-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(4-ethylphenyl)-3-(5-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) 3.56 8.08 -15.73 2 7 0 84 311.345 3 ↓

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) 3.20 8.23 -16.61 2 9 0 110 355.354 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-ethoxyphenyl)-3-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(2-ethoxyphenyl)-3-(5-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) 3.03 7.02 -16.62 2 8 0 93 327.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dimethoxyphenyl)-3-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(2,4-dimethoxyphenyl)-3-(5-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) 2.69 5.37 -16.75 2 9 0 102 343.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chlorophenyl)-3-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(2-chlorophenyl)-3-(5-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) 3.28 7.29 -14.62 2 7 0 84 317.736 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chloro-4-methyl-phenyl)-3-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(2-chloro-4-methyl-phenyl)-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) 3.70 7.96 -14.42 2 7 0 84 331.763 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-chloro-2-methoxy-phenyl)-3-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(5-chloro-2-methoxy-phenyl)-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) 3.31 6.6 -16.66 2 8 0 93 347.762 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dimethoxyphenyl)-3-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(2,5-dimethoxyphenyl)-3-(5-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) 2.69 5.36 -19.36 2 9 0 102 343.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-chloro-2-methyl-phenyl)-3-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(5-chloro-2-methyl-phenyl)-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) 3.70 8.08 -16.34 2 7 0 84 331.763 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chloro-2-methyl-phenyl)-3-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(3-chloro-2-methyl-phenyl)-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) 3.68 7.95 -14.08 2 7 0 84 331.763 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dimethylphenyl)-3-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(2,4-dimethylphenyl)-3-(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) 3.47 8.23 -16.08 2 7 0 84 311.345 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(p-tolyl)urea 1-(5-chloro-[1,2,4]triazolo[4,3-…

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) 3.72 8.98 -13.95 2 6 0 75 301.737 1 ↓
Mid Mid (pH 6-8) 3.17 8.32 -57.59 1 6 -1 78 300.729 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-3-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(4-chlorophenyl)-3-(5-chloro-[…

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) 3.95 8.86 -12.51 2 6 0 75 322.155 1 ↓
Mid Mid (pH 6-8) 3.40 8.14 -53.35 1 6 -1 78 321.147 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(2-fluorophenyl)urea 1-(5-chloro-[1,2,4]triazolo[4,3-…

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) 3.39 8.45 -13.31 2 6 0 75 305.7 1 ↓
Mid Mid (pH 6-8) 2.84 7.8 -54.95 1 6 -1 78 304.692 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(3-fluorophenyl)urea 1-(5-chloro-[1,2,4]triazolo[4,3-…

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) 3.41 8.38 -15.49 2 6 0 75 305.7 1 ↓
Mid Mid (pH 6-8) 2.86 7.71 -52.26 1 6 -1 78 304.692 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea 1-(5-chloro-[1,2,4]triazolo[4,3-…

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) 4.12 9.59 -13.15 2 6 0 75 355.707 2 ↓
Mid Mid (pH 6-8) 3.57 8.93 -53.94 1 6 -1 78 354.699 4 ↓

Parameters Provided:

ring.id = 386529
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 = 386529 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=386529&filter.purchasability=annotated

Embed Link to Results