UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (1R)-2-[(1-cyclopropyltetrazol-5…

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) 1.85 8.34 -13.48 0 6 0 52 320.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (1S)-2-[(1-cyclopropyltetrazol-5…

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) 1.85 8.5 -9.19 0 6 0 52 320.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin [(1R)-1-ethyl-3,4-dihydro-1H-pyr…

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) 1.32 5.85 -12.87 1 7 0 76 339.399 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin [(1S)-1-ethyl-3,4-dihydro-1H-pyr…

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) 1.32 6.54 -13.46 1 7 0 76 339.399 4 ↓

Analogs

188861
188861
188864
188864
213041
213041
213046
213046
281724
281724

Draw Identity 99% 90% 80% 70%

Popular Name: 8-Methyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole hydrochloride 8-Methyl-2,3,3a,4,5,6-hexahydro-…

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) 3.25 7.9 -47.49 2 2 1 22 227.331 0 ↓
Hi High (pH 8-9.5) 3.25 6.64 -6.53 1 2 0 17 226.323 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (1R)-1-(3-fluorophenyl)-1,2,3,4-…

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) 2.50 6.09 -6.49 1 2 0 17 216.259 1 ↓
Mid Mid (pH 6-8) 2.50 7.17 -45.4 2 2 1 22 217.267 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (1S)-1-(3-fluorophenyl)-1,2,3,4-…

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) 2.50 5.84 -5.65 1 2 0 17 216.259 1 ↓
Mid Mid (pH 6-8) 2.50 7.16 -45.42 2 2 1 22 217.267 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethan 2-[(1R)-1-methyl-3,4-dihydro-1H-…

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) 2.23 9.55 -14.06 0 8 0 78 383.452 4 ↓
Mid Mid (pH 6-8) 2.23 11.6 -44.79 1 8 1 79 384.46 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethan 2-[(1S)-1-methyl-3,4-dihydro-1H-…

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) 2.23 9.55 -14.35 0 8 0 78 383.452 4 ↓
Mid Mid (pH 6-8) 2.23 11.6 -45.46 1 8 1 79 384.46 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-aminophenyl)-1-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone 2-(3-aminophenyl)-1-[(1R)-1,6-di…

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) 1.78 7.25 -12.13 2 4 0 51 283.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-aminophenyl)-1-[(1S)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone 2-(3-aminophenyl)-1-[(1S)-1,6-di…

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) 1.78 7.42 -13.3 2 4 0 51 283.375 2 ↓

Analogs

11814932
11814932
11814934
11814934
11814936
11814936

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]-2 (3S)-1-(1,3-benzodioxol-5-ylmeth…

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) 2.73 1.44 -22.62 0 8 0 81 485.54 5 ↓

Analogs

11814934
11814934
11814936
11814936
11814930
11814930

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]-2 (3S)-1-(1,3-benzodioxol-5-ylmeth…

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) 2.73 1.42 -19.84 0 8 0 81 485.54 5 ↓

Analogs

11814936
11814936
11814930
11814930
11814932
11814932

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]-2 (3R)-1-(1,3-benzodioxol-5-ylmeth…

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) 2.73 1.42 -21.72 0 8 0 81 485.54 5 ↓

Analogs

11814930
11814930
11814932
11814932

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]-2 (3R)-1-(1,3-benzodioxol-5-ylmeth…

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) 2.73 1.45 -21.06 0 8 0 81 485.54 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-isopropyl-2-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (1S)-1-isopropyl-2-[[2-(4-methox…

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) 3.59 10.79 -51.7 1 5 1 44 363.485 5 ↓
Mid Mid (pH 6-8) 3.59 8.65 -10.48 0 5 0 43 362.477 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-isopropyl-2-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (1R)-1-isopropyl-2-[[2-(4-methox…

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) 3.59 11.11 -46.88 1 5 1 44 363.485 5 ↓
Mid Mid (pH 6-8) 3.59 9.11 -8.13 0 5 0 43 362.477 5 ↓

Analogs

11819215
11819215

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyr (1S)-2-[(2-benzylsulfonyl-3-isob…

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) 3.59 -1.48 -57.28 1 6 1 61 427.594 7 ↓
Mid Mid (pH 6-8) 3.59 -1.22 -124.56 2 6 2 63 428.602 7 ↓

Analogs

11819214
11819214

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyr (1R)-2-[(2-benzylsulfonyl-3-isob…

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) 3.59 -1.03 -51 1 6 1 61 427.594 7 ↓
Mid Mid (pH 6-8) 3.59 -0.76 -117.94 2 6 2 63 428.602 7 ↓

Analogs

11820056
11820056

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(1,3-benzodioxol-5-yloxymethyl)-1H-pyrazol-3-yl]-[(1S)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[2,1-c] [5-(1,3-benzodioxol-5-yloxymethy…

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) 3.04 7.48 -17.44 1 8 0 82 394.431 4 ↓

Analogs

11820055
11820055

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(1,3-benzodioxol-5-yloxymethyl)-1H-pyrazol-3-yl]-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[2,1-c] [5-(1,3-benzodioxol-5-yloxymethy…

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) 3.04 7.3 -18.36 1 8 0 82 394.431 4 ↓

Analogs

11839922
11839922
11839923
11839923
11839925
11839925

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-cyclohexyl-3-[2-[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]-2-oxo-ethyl]-3-(2-fl (3S)-1-cyclohexyl-3-[2-[(1S)-1-e…

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) 3.97 2.86 -14.39 0 6 0 63 465.569 5 ↓

Analogs

11839923
11839923
11839925
11839925
11839920
11839920

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-cyclohexyl-3-[2-[(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]-2-oxo-ethyl]-3-(2-fl (3S)-1-cyclohexyl-3-[2-[(1R)-1-e…

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) 3.97 1.89 -20.54 0 6 0 63 465.569 5 ↓

Analogs

11839925
11839925
11839920
11839920
11839922
11839922

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-cyclohexyl-3-[2-[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]-2-oxo-ethyl]-3-(2-fl (3R)-1-cyclohexyl-3-[2-[(1S)-1-e…

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) 3.97 2.88 -15.15 0 6 0 63 465.569 5 ↓

Analogs

11839920
11839920
11839922
11839922

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-cyclohexyl-3-[2-[(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]-2-oxo-ethyl]-3-(2-fl (3R)-1-cyclohexyl-3-[2-[(1R)-1-e…

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) 3.97 2.17 -13.09 0 6 0 63 465.569 5 ↓

Analogs

11840066
11840066

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl]-1-ethyl-3,4-dihydro-1H-p (1S)-2-[[3-(2,3-dihydro-1,4-benz…

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) 2.84 1.99 -43.96 1 6 1 46 379.484 4 ↓

Analogs

11840065
11840065

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl]-1-ethyl-3,4-dihydro-1H-p (1R)-2-[[3-(2,3-dihydro-1,4-benz…

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) 2.84 1.8 -48.14 1 6 1 46 379.484 4 ↓

Analogs

11840646
11840646

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[[2-(2,4-difluorophenyl)-5-methyl-oxazol-4-yl]methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]p (1S)-2-[[2-(2,4-difluorophenyl)-…

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) 3.71 1.84 -42 1 4 1 35 344.385 3 ↓

Analogs

11840644
11840644

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[[2-(2,4-difluorophenyl)-5-methyl-oxazol-4-yl]methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]p (1R)-2-[[2-(2,4-difluorophenyl)-…

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) 3.71 2.43 -38.63 1 4 1 35 344.385 3 ↓

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) 1.77 7.75 -18.38 1 8 0 96 451.454 5 ↓
Mid Mid (pH 6-8) 1.77 8.79 -23.61 1 8 0 96 451.454 5 ↓
Mid Mid (pH 6-8) 1.77 10.21 -62.37 2 8 1 97 452.462 5 ↓

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) 1.77 6.64 -20.85 1 8 0 96 451.454 5 ↓
Mid Mid (pH 6-8) 1.77 6.38 -21.92 1 8 0 96 451.454 5 ↓
Mid Mid (pH 6-8) 1.77 8.43 -67.66 2 8 1 97 452.462 5 ↓

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) 1.77 7.76 -21.41 1 8 0 96 451.454 5 ↓
Mid Mid (pH 6-8) 1.77 8.79 -27.51 1 8 0 96 451.454 5 ↓
Mid Mid (pH 6-8) 1.77 10.21 -67.2 2 8 1 97 452.462 5 ↓

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) 1.77 6.65 -24.43 1 8 0 96 451.454 5 ↓
Mid Mid (pH 6-8) 1.77 6.31 -25.72 1 8 0 96 451.454 5 ↓
Mid Mid (pH 6-8) 1.77 8.35 -73.47 2 8 1 97 452.462 5 ↓

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) 1.31 8.08 -26.89 1 9 0 109 437.452 5 ↓
Mid Mid (pH 6-8) 1.31 7.56 -21.31 1 9 0 109 437.452 5 ↓
Mid Mid (pH 6-8) 1.31 8.64 -56.48 2 9 1 110 438.46 5 ↓

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) 0.92 6.7 -27.1 1 10 0 118 453.451 6 ↓
Mid Mid (pH 6-8) 0.92 6.18 -21.62 1 10 0 118 453.451 6 ↓
Mid Mid (pH 6-8) 0.92 7.26 -57.84 2 10 1 120 454.459 6 ↓

Analogs

12004500
12004500

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-ethyl-2-[[5-methyl-2-(m-tolyl)oxazol-4-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (1S)-1-ethyl-2-[[5-methyl-2-(m-t…

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) 4.38 0.94 -38.65 1 4 1 35 336.459 4 ↓

Analogs

12004496
12004496

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-ethyl-2-[[5-methyl-2-(m-tolyl)oxazol-4-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (1R)-1-ethyl-2-[[5-methyl-2-(m-t…

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) 4.38 0.9 -38.23 1 4 1 35 336.459 4 ↓

Analogs

12027303
12027303

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-methyl-2-[[5-methyl-2-(m-tolyl)oxazol-4-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (1S)-1-methyl-2-[[5-methyl-2-(m-…

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 0.54 -38.87 1 4 1 35 322.432 3 ↓

Analogs

12027297
12027297

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-methyl-2-[[5-methyl-2-(m-tolyl)oxazol-4-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (1R)-1-methyl-2-[[5-methyl-2-(m-…

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 1.05 -37.78 1 4 1 35 322.432 3 ↓

Analogs

22063750
22063750
36005186
36005186
36005185
36005185
36005240
36005240

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) 3.52 9.01 -9.28 2 7 0 76 408.502 6 ↓

Analogs

20900179
20900179
20900185
20900185
20900187
20900187

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(2,3-dimethylphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1S)-N-(2,3-dimethylphenyl)-6-me…

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) 4.82 11.19 -10.02 1 4 0 37 325.456 3 ↓

Analogs

20900185
20900185
20900187
20900187
20900177
20900177

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(2,3-dimethylphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1R)-N-(2,3-dimethylphenyl)-6-me…

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) 4.82 11.2 -13.67 1 4 0 37 325.456 3 ↓

Analogs

20900183
20900183

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) 4.69 11.82 -9.65 1 6 0 64 369.465 6 ↓

Analogs

20900181
20900181

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) 4.69 11.76 -10.73 1 6 0 64 369.465 6 ↓

Analogs

20900187
20900187
20900177
20900177
20900179
20900179

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(2,5-dimethylphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1S)-N-(2,5-dimethylphenyl)-6-me…

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) 4.84 11.42 -9.91 1 4 0 37 325.456 3 ↓

Analogs

20900177
20900177
20900179
20900179
20900185
20900185

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(2,5-dimethylphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1R)-N-(2,5-dimethylphenyl)-6-me…

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) 4.84 11.37 -13.44 1 4 0 37 325.456 3 ↓

Analogs

20900191
20900191
20900432
20900432
20900434
20900434

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(3,5-dimethylphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1S)-N-(3,5-dimethylphenyl)-6-me…

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) 4.84 11.2 -9.63 1 4 0 37 325.456 3 ↓

Analogs

20900432
20900432
20900434
20900434
20900189
20900189

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(3,5-dimethylphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1R)-N-(3,5-dimethylphenyl)-6-me…

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) 4.84 11.25 -13.55 1 4 0 37 325.456 3 ↓

Analogs

20900195
20900195

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(3,4-dimethylphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1S)-N-(3,4-dimethylphenyl)-6-me…

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) 4.84 11.13 -9.75 1 4 0 37 325.456 3 ↓

Analogs

20900193
20900193

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(3,4-dimethylphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1R)-N-(3,4-dimethylphenyl)-6-me…

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) 4.84 11.1 -13.66 1 4 0 37 325.456 3 ↓

Parameters Provided:

ring.id = 25074
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 = 25074 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=25074&filter.purchasability=annotated

Embed Link to Results