UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(Methoxycarbonyl)-5-((4-nitrobenzyloxy)carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid 3-(Methoxycarbonyl)-5-((4-nitrob…

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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) 1.26 8.66 -63.85 0 12 -1 160 403.327 7 ↓

Analogs

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Popular Name: 1-[2-[(2R)-2-methyl-4-(o-tolyl)piperazine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]eth 1-[2-[(2R)-2-methyl-4-(o-tolyl)p…

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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) 1.65 9.55 -13.09 0 7 0 62 381.48 2 ↓
Mid Mid (pH 6-8) 1.65 9.3 -40.12 1 7 1 63 382.488 2 ↓

Analogs

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Popular Name: 1-[2-[(2S)-2-methyl-4-(o-tolyl)piperazine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]eth 1-[2-[(2S)-2-methyl-4-(o-tolyl)p…

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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) 1.65 9.19 -12.55 0 7 0 62 381.48 2 ↓
Mid Mid (pH 6-8) 1.65 9.24 -40.2 1 7 1 63 382.488 2 ↓

Analogs

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Popular Name: (5-ethylisoxazol-3-yl)-[2-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl (5-ethylisoxazol-3-yl)-[2-(4-met…

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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) 0.41 4.55 -12.65 0 9 0 88 372.429 3 ↓
Mid Mid (pH 6-8) 0.41 6.92 -46.27 1 9 1 89 373.437 3 ↓

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) 2.01 9.03 -22.57 0 8 0 82 381.436 5 ↓
Mid Mid (pH 6-8) 2.01 9.63 -41.22 1 8 1 84 382.444 5 ↓

Analogs

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Popular Name: 2-(4-chloropyrazol-1-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]et 2-(4-chloropyrazol-1-yl)-1-[2-(p…

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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) 0.37 6.05 -21.41 0 8 0 76 362.821 3 ↓

Analogs

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Popular Name: [(2S)-2-(3-isopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin [(2S)-2-(3-isopropyl-1,2,4-oxadi…

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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) 0.84 3.4 -64.14 2 8 1 94 331.4 3 ↓
Hi High (pH 8-9.5) 0.84 2.01 -16.74 1 8 0 89 330.392 3 ↓

Analogs

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Popular Name: [(2R)-2-(3-isopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin [(2R)-2-(3-isopropyl-1,2,4-oxadi…

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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) 0.84 3.38 -64.64 2 8 1 94 331.4 3 ↓
Hi High (pH 8-9.5) 0.84 1.99 -17.03 1 8 0 89 330.392 3 ↓

Analogs

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Popular Name: 5-[2-[(4-ethylcyclohexanecarbonyl)amino]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic 5-[2-[(4-ethylcyclohexanecarbony…

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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) 1.27 6.29 -58.72 1 8 -1 107 361.422 5 ↓

Analogs

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Popular Name: 5-[[(1S)-1-methoxycarbonyl-2-methyl-propyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbo 5-[[(1S)-1-methoxycarbonyl-2-met…

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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) 1.28 5.62 -57.65 1 9 -1 117 323.329 5 ↓

Analogs

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Popular Name: (2-chloro-3-methyl-phenyl)-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]me (2-chloro-3-methyl-phenyl)-[2-(p…

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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) 1.96 8.18 -16.15 0 6 0 58 372.856 2 ↓

Analogs

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Popular Name: 3-(3-pyridyl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one 3-(3-pyridyl)-1-[2-(pyrrolidine-…

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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) 0.78 7.19 -15.96 0 7 0 71 353.426 4 ↓
Lo Low (pH 4.5-6) 0.78 7.65 -47.4 1 7 1 73 354.434 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) 1.72 8.57 -57.91 1 7 1 66 338.391 5 ↓
Hi High (pH 8-9.5) 1.72 6.34 -15.2 0 7 0 65 337.383 5 ↓

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) 2.41 7.59 -12.25 0 6 0 64 345.424 3 ↓

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) 1.30 6.73 -18.09 0 9 0 95 374.788 3 ↓

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) 2.07 8.51 -11.36 0 7 0 65 351.41 5 ↓
Mid Mid (pH 6-8) 2.07 10.58 -45.13 1 7 1 66 352.418 5 ↓

Analogs

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Popular Name: N-allyl-5-methyl-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-c N-allyl-5-methyl-N-[(3S)-3-methy…

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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) 0.58 5.17 -58.63 1 7 1 77 353.468 4 ↓
Mid Mid (pH 6-8) 0.58 2.78 -16.31 0 7 0 76 352.46 4 ↓

Analogs

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Popular Name: N-allyl-5-methyl-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-c N-allyl-5-methyl-N-[(3R)-3-methy…

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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) 0.58 5.92 -60.5 1 7 1 77 353.468 4 ↓
Mid Mid (pH 6-8) 0.58 3.53 -19.63 0 7 0 76 352.46 4 ↓

Analogs

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Popular Name: N,5-dimethyl-N-[[3-(2-pyridyl)isoxazol-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxa N,5-dimethyl-N-[[3-(2-pyridyl)is…

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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) 0.62 7.34 -58.65 1 8 1 81 353.406 4 ↓
Mid Mid (pH 6-8) 0.62 4.95 -17.86 0 8 0 80 352.398 4 ↓
Lo Low (pH 4.5-6) 0.62 7.75 -99.5 2 8 2 83 354.414 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) 0.44 4.05 -15.78 1 8 0 94 348.384 4 ↓

Analogs

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Popular Name: N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide N-[(2,4-dimethoxyphenyl)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) 1.16 4.5 -53.24 2 7 1 70 331.396 5 ↓
Mid Mid (pH 6-8) 1.16 2.12 -12.06 1 7 0 69 330.388 5 ↓

Analogs

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Popular Name: 5-(3-methylbut-2-enyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide 5-(3-methylbut-2-enyl)-N-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) 3.10 6.18 -10.07 1 5 0 50 310.401 4 ↓
Mid Mid (pH 6-8) 3.10 8.43 -51.61 2 5 1 51 311.409 4 ↓

Analogs

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Popular Name: N-phenyl-5-[3-(3-pyridyl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide N-phenyl-5-[3-(3-pyridyl)propano…

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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) 1.83 7.59 -16.11 1 7 0 80 375.432 5 ↓
Lo Low (pH 4.5-6) 1.83 8.06 -46.76 2 7 1 81 376.44 5 ↓

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) 2.64 7.87 -11.98 1 7 0 76 368.437 5 ↓

Analogs

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Popular Name: N-cyclopropyl-5-[2-(4-fluoroanilino)-2-oxo-acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxam N-cyclopropyl-5-[2-(4-fluoroanil…

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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) 0.38 4.18 -12.33 2 8 0 96 371.372 4 ↓

Analogs

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Popular Name: [(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanon [(2S)-2-(pyrazol-1-ylmethyl)pyrr…

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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 4.97 -63.03 2 7 1 73 301.374 3 ↓
Hi High (pH 8-9.5) 0.19 3.58 -14.68 1 7 0 68 300.366 3 ↓

Analogs

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Popular Name: [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanon [(2R)-2-(pyrazol-1-ylmethyl)pyrr…

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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 5.5 -60.03 2 7 1 73 301.374 3 ↓
Hi High (pH 8-9.5) 0.19 4.11 -13.42 1 7 0 68 300.366 3 ↓

Analogs

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Popular Name: 5-benzyl-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbox 5-benzyl-N-[(3S)-1,1-dioxo-2,3-d…

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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) 0.55 2.09 -17.15 1 7 0 84 372.45 4 ↓
Mid Mid (pH 6-8) 0.55 4.36 -61.91 2 7 1 86 373.458 4 ↓

Analogs

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Popular Name: 5-benzyl-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbox 5-benzyl-N-[(3R)-1,1-dioxo-2,3-d…

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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) 0.55 2.09 -18.05 1 7 0 84 372.45 4 ↓
Mid Mid (pH 6-8) 0.55 4.36 -64.29 2 7 1 86 373.458 4 ↓

Analogs

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Popular Name: N-[(8-methoxy-5-quinolyl)methyl]-N,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide N-[(8-methoxy-5-quinolyl)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) 1.64 8.55 -59.27 1 7 1 65 366.445 4 ↓
Mid Mid (pH 6-8) 1.64 6.15 -16.81 0 7 0 63 365.437 4 ↓

Analogs

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Popular Name: N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-ca N-[2-[(5-methyl-1,3,4-thiadiazol…

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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 1.98 -60.97 3 7 1 89 325.443 5 ↓
Hi High (pH 8-9.5) 0.13 0.59 -13.6 2 7 0 85 324.435 5 ↓

Analogs

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Popular Name: N-[(S)-2-furyl(phenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide N-[(S)-2-furyl(phenyl)methyl]-5-…

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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) 2.16 7.84 -53.37 2 6 1 65 337.403 4 ↓
Mid Mid (pH 6-8) 2.16 5.45 -11.82 1 6 0 63 336.395 4 ↓

Analogs

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Popular Name: N-[(R)-2-furyl(phenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide N-[(R)-2-furyl(phenyl)methyl]-5-…

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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) 2.16 7.84 -53.42 2 6 1 65 337.403 4 ↓
Mid Mid (pH 6-8) 2.16 5.46 -11.83 1 6 0 63 336.395 4 ↓

Analogs

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Popular Name: N-(2-hydroxyethyl)-5-(1-phenyltetrazol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide N-(2-hydroxyethyl)-5-(1-phenylte…

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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) -0.24 3.46 -18.21 2 10 0 114 354.374 5 ↓

Analogs

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Popular Name: N-[1-(3-cyano-2-pyridyl)-4-piperidyl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide N-[1-(3-cyano-2-pyridyl)-4-piper…

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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) 0.65 7.46 -56.01 2 8 1 91 366.449 3 ↓
Mid Mid (pH 6-8) 0.65 5.07 -14.85 1 8 0 90 365.441 3 ↓

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) 2.15 6.04 -16.25 0 7 0 66 355.394 5 ↓
Lo Low (pH 4.5-6) 2.15 8.28 -63.31 1 7 1 67 356.402 5 ↓

Analogs

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Popular Name: 5-benzyl-N-ethyl-N-[(3S,4R)-4-hydroxytetrahydrofuran-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2- 5-benzyl-N-ethyl-N-[(3S,4R)-4-hy…

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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) 0.93 4.94 -12.51 1 7 0 71 370.453 5 ↓
Mid Mid (pH 6-8) 0.93 7.19 -56.35 2 7 1 72 371.461 5 ↓

Analogs

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Popular Name: [2-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[(2R)-2-methyltetrahy [2-(4-methylpiperazine-1-carbony…

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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) 0.00 3.97 -10.75 0 8 0 71 361.446 2 ↓
Mid Mid (pH 6-8) 0.00 6.32 -44.26 1 8 1 72 362.454 2 ↓

Analogs

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Popular Name: [2-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[(2S)-2-methyltetrahy [2-(4-methylpiperazine-1-carbony…

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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) 0.00 3.79 -13.19 0 8 0 71 361.446 2 ↓
Mid Mid (pH 6-8) 0.00 6.15 -47.38 1 8 1 72 362.454 2 ↓

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) 1.14 4.83 -13.74 1 8 0 89 349.416 5 ↓

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) 1.06 6.81 -16.3 0 9 0 93 370.413 4 ↓

Analogs

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Popular Name: [5-[(4-hydroxy-2-quinolyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-morpholino-methanone [5-[(4-hydroxy-2-quinolyl)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) 0.39 4.87 -21.02 1 8 0 83 393.447 3 ↓

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-5-(4-fluoro-3-methyl-benzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carb N-(2-dimethylaminoethyl)-5-(4-fl…

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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) 0.86 6.57 -46.43 2 7 1 72 374.44 5 ↓
Hi High (pH 8-9.5) 0.86 4.11 -13.71 1 7 0 70 373.432 5 ↓

Analogs

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Popular Name: 5-(5-chloro-2-hydroxy-benzoyl)-N-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxami 5-(5-chloro-2-hydroxy-benzoyl)-N…

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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) 0.80 -0.52 -16.46 3 8 0 108 364.789 4 ↓
Hi High (pH 8-9.5) 0.80 0.34 -52.52 2 8 -1 111 363.781 4 ↓

Analogs

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Popular Name: N,N,4-trimethyl-6-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)pyrimidin-2-amine N,N,4-trimethyl-6-(2-methyl-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) 1.81 9.23 -32.92 1 6 1 51 273.364 2 ↓
Hi High (pH 8-9.5) 1.81 8.93 -11.15 0 6 0 50 272.356 2 ↓
Lo Low (pH 4.5-6) 1.81 9.36 -72.11 2 6 2 53 274.372 2 ↓

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) 0.62 3.81 -13.91 0 8 0 77 350.419 4 ↓
Lo Low (pH 4.5-6) 0.62 6.2 -46.79 1 8 1 78 351.427 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) 0.62 3.78 -13.69 0 8 0 77 350.419 4 ↓
Lo Low (pH 4.5-6) 0.62 6.16 -47.82 1 8 1 78 351.427 4 ↓

Analogs

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Popular Name: 5-[2-(4-chloropyrazol-1-yl)acetyl]-N-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbo 5-[2-(4-chloropyrazol-1-yl)acety…

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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) -0.91 0.21 -22.67 2 9 0 105 352.782 5 ↓

Analogs

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Popular Name: (5-isopropyl-2-methyl-3-furyl)-[2-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl (5-isopropyl-2-methyl-3-furyl)-[…

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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) 0.82 6.66 -13.43 0 8 0 81 386.452 3 ↓

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) 0.83 1.95 -17.83 1 8 0 94 364.427 6 ↓
Mid Mid (pH 6-8) 0.83 4.21 -71.03 2 8 1 95 365.435 6 ↓

Parameters Provided:

ring.id = 393592
filter.purchasability = annotated
page.format = targets
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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 = 393592 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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