UCSF
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Analogs

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Popular Name: N-cyclohexyl-N-(2-hydroxyethyl)-6-oxo-1H-pyridazine-3-carboxamide N-cyclohexyl-N-(2-hydroxyethyl)-…

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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) 1.09 -0.08 -40.46 1 6 -1 89 264.305 4 ↓
Mid Mid (pH 6-8) 0.63 1.75 -9.02 2 6 0 86 265.313 4 ↓

Analogs

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Popular Name: 6-chloro-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]pyridazine-3-carboxamide 6-chloro-N-[(1S,2R,4R)-2,4-dimet…

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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) 2.62 5.73 -5.53 1 4 0 55 267.76 2 ↓

Analogs

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Popular Name: 6-chloro-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]pyridazine-3-carboxamide 6-chloro-N-[(1S,2R,4S)-2,4-dimet…

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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) 2.62 4.93 -5.65 1 4 0 55 267.76 2 ↓

Analogs

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Popular Name: 6-chloro-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]pyridazine-3-carboxamide 6-chloro-N-[(1R,2R,4R)-2,4-dimet…

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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) 2.62 5.33 -5.62 1 4 0 55 267.76 2 ↓

Analogs

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Popular Name: 6-chloro-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]pyridazine-3-carboxamide 6-chloro-N-[(1R,2R,4S)-2,4-dimet…

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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) 2.62 5.1 -5.61 1 4 0 55 267.76 2 ↓

Analogs

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Popular Name: 6-amino-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]pyridazine-3-carboxamide 6-amino-N-[(1S,2R,4R)-2,4-dimeth…

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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 4.24 -34.25 4 5 1 82 249.338 2 ↓
Mid Mid (pH 6-8) 1.43 4.07 -8.12 3 5 0 81 248.33 2 ↓
Lo Low (pH 4.5-6) 1.43 4.3 -31.39 4 5 1 82 249.338 2 ↓

Analogs

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Popular Name: 6-amino-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]pyridazine-3-carboxamide 6-amino-N-[(1S,2R,4S)-2,4-dimeth…

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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 3.44 -34.52 4 5 1 82 249.338 2 ↓
Mid Mid (pH 6-8) 1.43 3.28 -8.27 3 5 0 81 248.33 2 ↓
Lo Low (pH 4.5-6) 1.43 3.5 -31.7 4 5 1 82 249.338 2 ↓

Analogs

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Popular Name: 6-amino-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]pyridazine-3-carboxamide 6-amino-N-[(1R,2R,4R)-2,4-dimeth…

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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 3.84 -34.62 4 5 1 82 249.338 2 ↓
Mid Mid (pH 6-8) 1.43 3.68 -8.22 3 5 0 81 248.33 2 ↓
Lo Low (pH 4.5-6) 1.43 3.91 -31.91 4 5 1 82 249.338 2 ↓

Analogs

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Popular Name: 6-amino-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]pyridazine-3-carboxamide 6-amino-N-[(1R,2R,4S)-2,4-dimeth…

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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 3.61 -34.61 4 5 1 82 249.338 2 ↓
Mid Mid (pH 6-8) 1.43 3.45 -8.2 3 5 0 81 248.33 2 ↓
Lo Low (pH 4.5-6) 1.43 3.67 -32.02 4 5 1 82 249.338 2 ↓

Analogs

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Popular Name: N-[(1R,2S,4S)-2,4-dimethylcyclohexyl]-6-(propylamino)pyridazine-3-carboxamide N-[(1R,2S,4S)-2,4-dimethylcycloh…

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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) 2.68 6.72 -31.43 3 5 1 68 291.419 5 ↓
Mid Mid (pH 6-8) 2.68 6.55 -6.9 2 5 0 67 290.411 5 ↓
Lo Low (pH 4.5-6) 2.68 6.78 -29.56 3 5 1 68 291.419 5 ↓

Analogs

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Popular Name: N-[(1S,2S,4S)-2,4-dimethylcyclohexyl]-6-(propylamino)pyridazine-3-carboxamide N-[(1S,2S,4S)-2,4-dimethylcycloh…

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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) 2.68 6.32 -31.75 3 5 1 68 291.419 5 ↓
Mid Mid (pH 6-8) 2.68 6.16 -6.96 2 5 0 67 290.411 5 ↓
Lo Low (pH 4.5-6) 2.68 6.39 -30.09 3 5 1 68 291.419 5 ↓

Analogs

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Popular Name: N-[(1R,2S,4R)-2,4-dimethylcyclohexyl]-6-(propylamino)pyridazine-3-carboxamide N-[(1R,2S,4R)-2,4-dimethylcycloh…

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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) 2.68 5.92 -31.69 3 5 1 68 291.419 5 ↓
Mid Mid (pH 6-8) 2.68 5.75 -6.99 2 5 0 67 290.411 5 ↓
Lo Low (pH 4.5-6) 2.68 5.98 -29.88 3 5 1 68 291.419 5 ↓

Analogs

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Popular Name: N-[(1S,2S,4R)-2,4-dimethylcyclohexyl]-6-(propylamino)pyridazine-3-carboxamide N-[(1S,2S,4R)-2,4-dimethylcycloh…

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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) 2.68 6.09 -31.82 3 5 1 68 291.419 5 ↓
Mid Mid (pH 6-8) 2.68 5.92 -6.94 2 5 0 67 290.411 5 ↓
Lo Low (pH 4.5-6) 2.68 6.15 -30.2 3 5 1 68 291.419 5 ↓

Analogs

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Popular Name: N-[(1R,2S,4S)-2,4-dimethylcyclohexyl]-6-(ethylamino)pyridazine-3-carboxamide N-[(1R,2S,4S)-2,4-dimethylcycloh…

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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) 2.18 5.96 -31.11 3 5 1 68 277.392 4 ↓
Mid Mid (pH 6-8) 2.18 5.8 -7.22 2 5 0 67 276.384 4 ↓
Lo Low (pH 4.5-6) 2.18 6.03 -29.39 3 5 1 68 277.392 4 ↓

Analogs

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Popular Name: N-[(1S,2S,4S)-2,4-dimethylcyclohexyl]-6-(ethylamino)pyridazine-3-carboxamide N-[(1S,2S,4S)-2,4-dimethylcycloh…

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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) 2.18 5.57 -31.41 3 5 1 68 277.392 4 ↓
Mid Mid (pH 6-8) 2.18 5.4 -7.34 2 5 0 67 276.384 4 ↓
Lo Low (pH 4.5-6) 2.18 5.63 -29.96 3 5 1 68 277.392 4 ↓

Analogs

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Popular Name: N-[(1R,2S,4R)-2,4-dimethylcyclohexyl]-6-(ethylamino)pyridazine-3-carboxamide N-[(1R,2S,4R)-2,4-dimethylcycloh…

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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) 2.18 5.16 -31.35 3 5 1 68 277.392 4 ↓
Mid Mid (pH 6-8) 2.18 5 -7.34 2 5 0 67 276.384 4 ↓
Lo Low (pH 4.5-6) 2.18 5.23 -29.72 3 5 1 68 277.392 4 ↓

Analogs

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Popular Name: N-[(1S,2S,4R)-2,4-dimethylcyclohexyl]-6-(ethylamino)pyridazine-3-carboxamide N-[(1S,2S,4R)-2,4-dimethylcycloh…

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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) 2.18 5.33 -31.48 3 5 1 68 277.392 4 ↓
Mid Mid (pH 6-8) 2.18 5.17 -7.29 2 5 0 67 276.384 4 ↓
Lo Low (pH 4.5-6) 2.18 5.4 -30.06 3 5 1 68 277.392 4 ↓

Analogs

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Popular Name: N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-6-(methylamino)pyridazine-3-carboxamide N-[(1S,2R,4R)-2,4-dimethylcycloh…

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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) 1.80 5.15 -31.71 3 5 1 68 263.365 3 ↓
Mid Mid (pH 6-8) 1.80 4.99 -7.78 2 5 0 67 262.357 3 ↓
Lo Low (pH 4.5-6) 1.80 5.21 -29.69 3 5 1 68 263.365 3 ↓

Analogs

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Popular Name: N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-6-(methylamino)pyridazine-3-carboxamide N-[(1S,2R,4S)-2,4-dimethylcycloh…

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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) 1.80 4.35 -31.96 3 5 1 68 263.365 3 ↓
Mid Mid (pH 6-8) 1.80 4.19 -7.97 2 5 0 67 262.357 3 ↓
Lo Low (pH 4.5-6) 1.80 4.42 -30.01 3 5 1 68 263.365 3 ↓

Analogs

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Popular Name: N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-6-(methylamino)pyridazine-3-carboxamide N-[(1R,2R,4R)-2,4-dimethylcycloh…

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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) 1.80 4.76 -32.07 3 5 1 68 263.365 3 ↓
Mid Mid (pH 6-8) 1.80 4.59 -7.94 2 5 0 67 262.357 3 ↓
Lo Low (pH 4.5-6) 1.80 4.82 -30.26 3 5 1 68 263.365 3 ↓

Analogs

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Popular Name: N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-6-(methylamino)pyridazine-3-carboxamide N-[(1R,2R,4S)-2,4-dimethylcycloh…

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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) 1.80 4.52 -32.05 3 5 1 68 263.365 3 ↓
Mid Mid (pH 6-8) 1.80 4.36 -7.92 2 5 0 67 262.357 3 ↓
Lo Low (pH 4.5-6) 1.80 4.59 -30.31 3 5 1 68 263.365 3 ↓

Analogs

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Popular Name: N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-6-hydrazino-pyridazine-3-carboxamide N-[(1S,2R,4R)-2,4-dimethylcycloh…

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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) 1.19 3.93 -9.09 4 6 0 93 263.345 3 ↓
Lo Low (pH 4.5-6) 1.19 4.16 -31.63 5 6 1 94 264.353 3 ↓

Analogs

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Popular Name: N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-6-hydrazino-pyridazine-3-carboxamide N-[(1S,2R,4S)-2,4-dimethylcycloh…

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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) 1.19 3.13 -9.28 4 6 0 93 263.345 3 ↓
Lo Low (pH 4.5-6) 1.19 3.36 -31.93 5 6 1 94 264.353 3 ↓

Analogs

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Popular Name: N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-6-hydrazino-pyridazine-3-carboxamide N-[(1R,2R,4R)-2,4-dimethylcycloh…

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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) 1.19 3.54 -9.18 4 6 0 93 263.345 3 ↓
Lo Low (pH 4.5-6) 1.19 3.77 -32.2 5 6 1 94 264.353 3 ↓

Analogs

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Popular Name: N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-6-hydrazino-pyridazine-3-carboxamide N-[(1R,2R,4S)-2,4-dimethylcycloh…

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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) 1.19 3.3 -9.23 4 6 0 93 263.345 3 ↓
Lo Low (pH 4.5-6) 1.19 3.53 -32.26 5 6 1 94 264.353 3 ↓

Analogs

42581201
42581201

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Popular Name: 6-chloro-N-(4-propylcyclohexyl)pyridazine-3-carboxamide 6-chloro-N-(4-propylcyclohexyl)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) 3.39 5.87 -5.77 1 4 0 55 281.787 4 ↓

Parameters Provided:

ring.id = 35098
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 = 35098 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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