UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: tert-Butyl 5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate tert-Butyl 5,6-dihydro-[1,2,4]tr…

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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) 0.27 6.18 -12.02 0 6 0 60 224.264 2 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 0.75 0.14 -60.8 2 8 1 87 384.46 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 0.53 0.42 -62.75 2 8 1 87 370.433 7 ↓

Analogs

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Popular Name: [7-[(1-ethyl-6-fluoro-indol-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,5-a]pyrazin-3-yl]methanol [7-[(1-ethyl-6-fluoro-indol-3-yl…

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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) 0.81 -0.01 -63.9 2 6 1 60 330.387 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 0.15 0.33 -63.33 2 8 1 87 356.406 6 ↓

Analogs

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Popular Name: [7-[[1-[(2-fluorophenyl)methyl]-2-methyl-indol-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,5-a]pyr [7-[[1-[(2-fluorophenyl)methyl]-…

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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) 2.22 -0.19 -60.63 2 6 1 60 406.485 5 ↓

Analogs

57822741
57822741

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Popular Name: [7-[[2-methyl-4-(1-piperidyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,5-a]pyrazin-3-yl]methan [7-[[2-methyl-4-(1-piperidyl)phe…

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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) 1.46 -3.08 -56 2 6 1 59 342.467 4 ↓

Analogs

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Popular Name: 3-(2-propoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine 3-(2-propoxyethyl)-5,6,7,8-tetra…

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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) 0.13 4.39 -56.82 2 5 1 57 211.289 5 ↓
Mid Mid (pH 6-8) 0.13 3.02 -10.03 1 5 0 52 210.281 5 ↓

Analogs

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Popular Name: (8R)-8-methyl-3-(2-propoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (8R)-8-methyl-3-(2-propoxyethyl)…

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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) 0.69 4.93 -54.43 2 5 1 57 225.316 5 ↓
Mid Mid (pH 6-8) 0.69 3.62 -9.6 1 5 0 52 224.308 5 ↓

Analogs

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Popular Name: (8S)-8-methyl-3-(2-propoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (8S)-8-methyl-3-(2-propoxyethyl)…

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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) 0.69 4.93 -54.31 2 5 1 57 225.316 5 ↓
Mid Mid (pH 6-8) 0.69 3.67 -10.47 1 5 0 52 224.308 5 ↓

Analogs

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Popular Name: (8R)-8-phenyl-3-(2-propoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (8R)-8-phenyl-3-(2-propoxyethyl)…

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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) 1.91 6.69 -11.05 1 5 0 52 286.379 6 ↓
Mid Mid (pH 6-8) 1.91 8.01 -55.15 2 5 1 57 287.387 6 ↓

Analogs

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Popular Name: (8S)-8-phenyl-3-(2-propoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (8S)-8-phenyl-3-(2-propoxyethyl)…

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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) 1.91 6.92 -11.33 1 5 0 52 286.379 6 ↓
Mid Mid (pH 6-8) 1.91 7.99 -55.14 2 5 1 57 287.387 6 ↓

Analogs

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Popular Name: 3-(4-tert-butylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine 3-(4-tert-butylcyclohexyl)-5,6,7…

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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) 2.08 7.88 -56.03 2 4 1 47 263.409 2 ↓
Mid Mid (pH 6-8) 2.08 6.51 -9.87 1 4 0 43 262.401 2 ↓

Analogs

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Popular Name: (8R)-3-(4-tert-butylcyclohexyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (8R)-3-(4-tert-butylcyclohexyl)-…

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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) 2.64 8.67 -50.75 2 4 1 47 277.436 2 ↓
Mid Mid (pH 6-8) 2.64 7.41 -8.57 1 4 0 43 276.428 2 ↓

Analogs

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Popular Name: (8S)-3-(4-tert-butylcyclohexyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (8S)-3-(4-tert-butylcyclohexyl)-…

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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) 2.64 8.41 -53.77 2 4 1 47 277.436 2 ↓
Mid Mid (pH 6-8) 2.64 7.09 -9.44 1 4 0 43 276.428 2 ↓

Analogs

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Popular Name: 3-[(1S)-tetralin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine 3-[(1S)-tetralin-1-yl]-5,6,7,8-t…

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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) 1.44 7.56 -57.58 2 4 1 47 255.345 1 ↓
Mid Mid (pH 6-8) 1.44 6.21 -11.24 1 4 0 43 254.337 1 ↓

Analogs

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Popular Name: 3-[(1R)-tetralin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine 3-[(1R)-tetralin-1-yl]-5,6,7,8-t…

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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) 1.44 7.56 -57.59 2 4 1 47 255.345 1 ↓
Mid Mid (pH 6-8) 1.44 6.21 -11.28 1 4 0 43 254.337 1 ↓

Analogs

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Popular Name: (8R)-8-methyl-3-[(1R)-tetralin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (8R)-8-methyl-3-[(1R)-tetralin-1…

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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) 2.00 8.11 -55.22 2 4 1 47 269.372 1 ↓
Mid Mid (pH 6-8) 2.00 6.85 -12 1 4 0 43 268.364 1 ↓

Analogs

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Popular Name: (8S)-8-methyl-3-[(1R)-tetralin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (8S)-8-methyl-3-[(1R)-tetralin-1…

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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) 2.00 8.11 -55.25 2 4 1 47 269.372 1 ↓
Mid Mid (pH 6-8) 2.00 6.79 -10.84 1 4 0 43 268.364 1 ↓

Analogs

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Popular Name: (8R)-8-methyl-3-[(1S)-tetralin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (8R)-8-methyl-3-[(1S)-tetralin-1…

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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) 2.00 8.11 -55.25 2 4 1 47 269.372 1 ↓
Mid Mid (pH 6-8) 2.00 6.85 -11.72 1 4 0 43 268.364 1 ↓

Analogs

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Popular Name: (8S)-8-methyl-3-[(1S)-tetralin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (8S)-8-methyl-3-[(1S)-tetralin-1…

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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) 2.00 8.1 -55.21 2 4 1 47 269.372 1 ↓
Mid Mid (pH 6-8) 2.00 6.79 -10.85 1 4 0 43 268.364 1 ↓

Analogs

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Popular Name: 8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoline 8-(5,6,7,8-tetrahydro-[1,2,4]tri…

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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) 1.06 6.19 -62.4 2 5 1 60 252.301 1 ↓
Mid Mid (pH 6-8) 1.06 4.83 -18.48 1 5 0 56 251.293 1 ↓

Analogs

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Popular Name: 6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoxaline 6-(5,6,7,8-tetrahydro-[1,2,4]tri…

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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) 0.87 4.02 -66 2 6 1 73 253.289 1 ↓
Mid Mid (pH 6-8) 0.87 2.64 -16.34 1 6 0 69 252.281 1 ↓

Analogs

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Popular Name: 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoline 5-(5,6,7,8-tetrahydro-[1,2,4]tri…

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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) 1.36 5.99 -61.75 2 5 1 60 252.301 1 ↓
Mid Mid (pH 6-8) 1.36 4.63 -13.33 1 5 0 56 251.293 1 ↓

Analogs

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Popular Name: 6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoline 6-(5,6,7,8-tetrahydro-[1,2,4]tri…

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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) 1.08 5.96 -65.68 2 5 1 60 252.301 1 ↓
Mid Mid (pH 6-8) 1.08 4.59 -14.95 1 5 0 56 251.293 1 ↓

Analogs

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Popular Name: 8-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]quinoline 8-[(8R)-8-methyl-5,6,7,8-tetrahy…

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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) 1.62 6.72 -59.79 2 5 1 60 266.328 1 ↓
Mid Mid (pH 6-8) 1.62 5.48 -18.82 1 5 0 56 265.32 1 ↓

Analogs

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Popular Name: 8-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]quinoline 8-[(8S)-8-methyl-5,6,7,8-tetrahy…

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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) 1.62 6.72 -59.82 2 5 1 60 266.328 1 ↓
Mid Mid (pH 6-8) 1.62 5.43 -17.99 1 5 0 56 265.32 1 ↓

Analogs

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Popular Name: 6-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]quinoxaline 6-[(8R)-8-methyl-5,6,7,8-tetrahy…

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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 4.55 -63.35 2 6 1 73 267.316 1 ↓
Mid Mid (pH 6-8) 1.43 3.29 -16.64 1 6 0 69 266.308 1 ↓

Analogs

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Popular Name: 6-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]quinoxaline 6-[(8S)-8-methyl-5,6,7,8-tetrahy…

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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 4.55 -58.3 2 6 1 73 267.316 1 ↓
Mid Mid (pH 6-8) 1.43 3.24 -12.94 1 6 0 69 266.308 1 ↓

Analogs

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Popular Name: 5-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]quinoline 5-[(8R)-8-methyl-5,6,7,8-tetrahy…

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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) 1.92 6.52 -58.98 2 5 1 60 266.328 1 ↓
Mid Mid (pH 6-8) 1.92 5.27 -13.57 1 5 0 56 265.32 1 ↓

Analogs

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Popular Name: 5-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]quinoline 5-[(8S)-8-methyl-5,6,7,8-tetrahy…

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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) 1.92 6.52 -59.03 2 5 1 60 266.328 1 ↓
Mid Mid (pH 6-8) 1.92 5.22 -12.9 1 5 0 56 265.32 1 ↓

Analogs

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Popular Name: 6-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]quinoline 6-[(8R)-8-methyl-5,6,7,8-tetrahy…

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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) 1.64 6.5 -58.76 2 5 1 60 266.328 1 ↓
Mid Mid (pH 6-8) 1.64 5.24 -13.59 1 5 0 56 265.32 1 ↓

Analogs

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Popular Name: 6-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]quinoline 6-[(8S)-8-methyl-5,6,7,8-tetrahy…

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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) 1.64 6.49 -63.07 2 5 1 60 266.328 1 ↓
Mid Mid (pH 6-8) 1.64 5.2 -14.53 1 5 0 56 265.32 1 ↓

Analogs

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Popular Name: 3-(2-methoxy-3-pyridyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine 3-(2-methoxy-3-pyridyl)-5,6,7,8-…

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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) 0.21 2.48 -62.49 2 6 1 69 232.267 2 ↓
Mid Mid (pH 6-8) 0.21 1.12 -15.59 1 6 0 65 231.259 2 ↓

Analogs

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Popular Name: (8R)-3-(2-methoxy-3-pyridyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (8R)-3-(2-methoxy-3-pyridyl)-8-m…

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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) 0.77 3.03 -59.84 2 6 1 69 246.294 2 ↓
Mid Mid (pH 6-8) 0.77 1.77 -15.82 1 6 0 65 245.286 2 ↓

Analogs

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Popular Name: (8S)-3-(2-methoxy-3-pyridyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (8S)-3-(2-methoxy-3-pyridyl)-8-m…

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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) 0.77 3.02 -59.86 2 6 1 69 246.294 2 ↓
Mid Mid (pH 6-8) 0.77 1.72 -15.15 1 6 0 65 245.286 2 ↓

Analogs

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Popular Name: 3-(5-fluoro-2-methyl-phenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine 3-(5-fluoro-2-methyl-phenyl)-5,6…

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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) 1.64 6.18 -55.52 2 4 1 47 233.27 1 ↓
Mid Mid (pH 6-8) 1.64 4.81 -9.63 1 4 0 43 232.262 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-3-(5-fluoro-2-methyl-phenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (8R)-3-(5-fluoro-2-methyl-phenyl…

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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) 2.20 6.72 -52.79 2 4 1 47 247.297 1 ↓
Mid Mid (pH 6-8) 2.20 5.43 -9.17 1 4 0 43 246.289 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S)-3-(5-fluoro-2-methyl-phenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (8S)-3-(5-fluoro-2-methyl-phenyl…

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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) 2.20 6.78 -52.94 2 4 1 47 247.297 1 ↓
Mid Mid (pH 6-8) 2.20 5.53 -10.24 1 4 0 43 246.289 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1H-pyrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine 3-(1H-pyrazol-5-yl)-5,6,7,8-tetr…

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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) -0.64 2.28 -59.82 3 6 1 76 191.218 1 ↓
Mid Mid (pH 6-8) -0.64 1 -12.47 2 6 0 71 190.21 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-8-methyl-3-(1H-pyrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (8R)-8-methyl-3-(1H-pyrazol-5-yl…

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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) -0.08 2.81 -57.02 3 6 1 76 205.245 1 ↓
Mid Mid (pH 6-8) -0.08 1.65 -13.25 2 6 0 71 204.237 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S)-8-methyl-3-(1H-pyrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (8S)-8-methyl-3-(1H-pyrazol-5-yl…

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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) -0.08 2.78 -57.07 3 6 1 76 205.245 1 ↓
Mid Mid (pH 6-8) -0.08 1.6 -11.92 2 6 0 71 204.237 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-8-phenyl-3-(1H-pyrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (8R)-8-phenyl-3-(1H-pyrazol-5-yl…

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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) 1.14 4.82 -12.05 2 6 0 71 266.308 2 ↓
Mid Mid (pH 6-8) 1.14 5.96 -53.09 3 6 1 76 267.316 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S)-8-phenyl-3-(1H-pyrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (8S)-8-phenyl-3-(1H-pyrazol-5-yl…

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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) 1.14 4.53 -11.63 2 6 0 71 266.308 2 ↓
Mid Mid (pH 6-8) 1.14 5.96 -53.05 3 6 1 76 267.316 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine 3-(3,4,5-trifluorophenyl)-5,6,7,…

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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) 1.45 5.78 -62.31 2 4 1 47 255.223 1 ↓
Mid Mid (pH 6-8) 1.45 4.41 -9.89 1 4 0 43 254.215 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-8-methyl-3-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (8R)-8-methyl-3-(3,4,5-trifluoro…

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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) 2.01 6.3 -59.68 2 4 1 47 269.25 1 ↓
Mid Mid (pH 6-8) 2.01 5.05 -10.06 1 4 0 43 268.242 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S)-8-methyl-3-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (8S)-8-methyl-3-(3,4,5-trifluoro…

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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) 2.01 6.31 -59.66 2 4 1 47 269.25 1 ↓
Mid Mid (pH 6-8) 2.01 5.01 -9.49 1 4 0 43 268.242 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thieno[3,2-d]pyrimidine 4-(3-methyl-6,8-dihydro-5H-[1,2,…

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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) 0.50 7.51 -14.54 0 6 0 60 272.337 1 ↓
Lo Low (pH 4.5-6) 0.50 7.97 -40.1 1 6 1 61 273.345 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxo-ethyl]-1,4-benzoxazin-3-one 4-[2-(3-ethyl-6,8-dihydro-5H-[1,…

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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) 0.13 7.19 -17.51 0 8 0 81 341.371 3 ↓

Analogs

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Popular Name: (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-methylisothiazolo[5,4-b]pyridin-5-yl) (3-ethyl-6,8-dihydro-5H-[1,2,4]t…

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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) 0.19 6.06 -16.85 0 7 0 77 328.401 2 ↓

Parameters Provided:

ring.id = 20261
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 = 20261 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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