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Analogs

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Popular Name: (S)-1-isoquinolyl-(2-methylpyrazol-3-yl)methanol (S)-1-isoquinolyl-(2-methylpyraz…

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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) 1.90 3.5 -9.9 1 4 0 51 239.278 2 ↓
Lo Low (pH 4.5-6) 1.90 4.54 -35.09 2 4 1 52 240.286 2 ↓

Analogs

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Popular Name: (R)-1-isoquinolyl-(2-methylpyrazol-3-yl)methanol (R)-1-isoquinolyl-(2-methylpyraz…

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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) 1.90 3.4 -9.79 1 4 0 51 239.278 2 ↓
Lo Low (pH 4.5-6) 1.90 4.61 -35.88 2 4 1 52 240.286 2 ↓

Analogs

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Popular Name: (S)-1-isoquinolyl-(2-methylpyrazol-3-yl)methanamine (S)-1-isoquinolyl-(2-methylpyraz…

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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) 1.94 3.99 -47.17 3 4 1 58 239.302 2 ↓
Mid Mid (pH 6-8) 1.94 4.58 -34.66 3 4 1 58 239.302 2 ↓
Mid Mid (pH 6-8) 1.94 3.67 -9.5 2 4 0 57 238.294 2 ↓

Analogs

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Popular Name: (R)-1-isoquinolyl-(2-methylpyrazol-3-yl)methanamine (R)-1-isoquinolyl-(2-methylpyraz…

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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) 1.94 3.89 -46.39 3 4 1 58 239.302 2 ↓
Mid Mid (pH 6-8) 1.94 3.57 -9.08 2 4 0 57 238.294 2 ↓
Mid Mid (pH 6-8) 1.94 4.55 -32.88 3 4 1 58 239.302 2 ↓

Analogs

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Popular Name: (1S)-1-(1-isoquinolyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine (1S)-1-(1-isoquinolyl)-N-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) 2.31 5.58 -41.21 2 4 1 47 253.329 3 ↓
Mid Mid (pH 6-8) 2.31 5.94 -30.35 2 4 1 44 253.329 3 ↓
Mid Mid (pH 6-8) 2.31 4.37 -9.49 1 4 0 43 252.321 3 ↓

Analogs

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Popular Name: (1R)-1-(1-isoquinolyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine (1R)-1-(1-isoquinolyl)-N-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) 2.31 5.77 -41.83 2 4 1 47 253.329 3 ↓
Mid Mid (pH 6-8) 2.31 6.36 -32.67 2 4 1 44 253.329 3 ↓
Mid Mid (pH 6-8) 2.31 4.49 -9.45 1 4 0 43 252.321 3 ↓

Analogs

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Popular Name: N-[(S)-1-isoquinolyl-(2-methylpyrazol-3-yl)methyl]ethanamine N-[(S)-1-isoquinolyl-(2-methylpy…

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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) 2.69 6.4 -39.16 2 4 1 47 267.356 4 ↓
Mid Mid (pH 6-8) 2.69 5.29 -9.21 1 4 0 43 266.348 4 ↓

Analogs

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Popular Name: N-[(R)-1-isoquinolyl-(2-methylpyrazol-3-yl)methyl]ethanamine N-[(R)-1-isoquinolyl-(2-methylpy…

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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) 2.69 6.4 -40.02 2 4 1 47 267.356 4 ↓
Mid Mid (pH 6-8) 2.69 5.41 -9.19 1 4 0 43 266.348 4 ↓

Analogs

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Popular Name: N-[(S)-1-isoquinolyl-(2-methylpyrazol-3-yl)methyl]propan-1-amine N-[(S)-1-isoquinolyl-(2-methylpy…

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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) 3.19 7.16 -39.62 2 4 1 47 281.383 5 ↓
Mid Mid (pH 6-8) 3.19 6.03 -8.74 1 4 0 43 280.375 5 ↓

Analogs

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Popular Name: N-[(R)-1-isoquinolyl-(2-methylpyrazol-3-yl)methyl]propan-1-amine N-[(R)-1-isoquinolyl-(2-methylpy…

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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) 3.19 7.18 -40.53 2 4 1 47 281.383 5 ↓
Mid Mid (pH 6-8) 3.19 6.16 -8.97 1 4 0 43 280.375 5 ↓

Analogs

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Popular Name: (S)-1-isoquinolyl-(2-propylpyrazol-3-yl)methanol (S)-1-isoquinolyl-(2-propylpyraz…

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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) 2.77 4.73 -9.47 1 4 0 51 267.332 4 ↓
Lo Low (pH 4.5-6) 2.77 6.31 -34.84 2 4 1 52 268.34 4 ↓

Analogs

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Popular Name: (R)-1-isoquinolyl-(2-propylpyrazol-3-yl)methanol (R)-1-isoquinolyl-(2-propylpyraz…

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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) 2.77 5.01 -9.52 1 4 0 51 267.332 4 ↓
Lo Low (pH 4.5-6) 2.77 5.87 -35.19 2 4 1 52 268.34 4 ↓

Analogs

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Popular Name: (S)-(2-ethylpyrazol-3-yl)-(1-isoquinolyl)methanol (S)-(2-ethylpyrazol-3-yl)-(1-iso…

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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) 2.27 4.12 -9.71 1 4 0 51 253.305 3 ↓
Lo Low (pH 4.5-6) 2.27 5.56 -34.95 2 4 1 52 254.313 3 ↓

Analogs

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Popular Name: (R)-(2-ethylpyrazol-3-yl)-(1-isoquinolyl)methanol (R)-(2-ethylpyrazol-3-yl)-(1-iso…

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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) 2.27 4.27 -9.72 1 4 0 51 253.305 3 ↓
Lo Low (pH 4.5-6) 2.27 5.25 -35.54 2 4 1 52 254.313 3 ↓

Analogs

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Popular Name: (S)-1-isoquinolyl-(2-propylpyrazol-3-yl)methanamine (S)-1-isoquinolyl-(2-propylpyraz…

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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) 2.82 5.21 -46.53 3 4 1 58 267.356 4 ↓
Mid Mid (pH 6-8) 2.82 6.25 -34.4 3 4 1 58 267.356 4 ↓
Mid Mid (pH 6-8) 2.82 4.9 -8.83 2 4 0 57 266.348 4 ↓

Analogs

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Popular Name: (R)-1-isoquinolyl-(2-propylpyrazol-3-yl)methanamine (R)-1-isoquinolyl-(2-propylpyraz…

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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) 2.82 5.5 -45.98 3 4 1 58 267.356 4 ↓
Mid Mid (pH 6-8) 2.82 5.78 -28.94 3 4 1 58 267.356 4 ↓
Mid Mid (pH 6-8) 2.82 5.18 -8.98 2 4 0 57 266.348 4 ↓

Analogs

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Popular Name: (S)-(2-ethylpyrazol-3-yl)-(1-isoquinolyl)methanamine (S)-(2-ethylpyrazol-3-yl)-(1-iso…

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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) 2.31 4.65 -46.75 3 4 1 58 253.329 3 ↓
Mid Mid (pH 6-8) 2.31 5.49 -32.15 3 4 1 58 253.329 3 ↓
Mid Mid (pH 6-8) 2.31 4.3 -9.07 2 4 0 57 252.321 3 ↓

Analogs

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Popular Name: (R)-(2-ethylpyrazol-3-yl)-(1-isoquinolyl)methanamine (R)-(2-ethylpyrazol-3-yl)-(1-iso…

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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) 2.31 4.76 -46.06 3 4 1 58 253.329 3 ↓
Mid Mid (pH 6-8) 2.31 5.05 -30.1 3 4 1 58 253.329 3 ↓
Mid Mid (pH 6-8) 2.31 4.42 -9.17 2 4 0 57 252.321 3 ↓

Analogs

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Popular Name: (1S)-1-(1-isoquinolyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine (1S)-1-(1-isoquinolyl)-N-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) 3.19 6.83 -40.87 2 4 1 47 281.383 5 ↓
Mid Mid (pH 6-8) 3.19 5.99 -9.3 1 4 0 43 280.375 5 ↓
Mid Mid (pH 6-8) 3.19 7.83 -33.54 2 4 1 44 281.383 5 ↓

Analogs

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Popular Name: (1R)-1-(1-isoquinolyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine (1R)-1-(1-isoquinolyl)-N-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) 3.19 7.25 -40.64 2 4 1 47 281.383 5 ↓
Mid Mid (pH 6-8) 3.19 6.24 -28.46 2 4 1 44 281.383 5 ↓
Mid Mid (pH 6-8) 3.19 5.97 -9.14 1 4 0 43 280.375 5 ↓

Analogs

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Popular Name: (1S)-1-(2-ethylpyrazol-3-yl)-1-(1-isoquinolyl)-N-methyl-methanamine (1S)-1-(2-ethylpyrazol-3-yl)-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) 2.69 6.3 -41.09 2 4 1 47 267.356 4 ↓
Mid Mid (pH 6-8) 2.69 7.16 -33.38 2 4 1 44 267.356 4 ↓
Mid Mid (pH 6-8) 2.69 5.24 -9.48 1 4 0 43 266.348 4 ↓

Analogs

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Popular Name: (1R)-1-(2-ethylpyrazol-3-yl)-1-(1-isoquinolyl)-N-methyl-methanamine (1R)-1-(2-ethylpyrazol-3-yl)-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) 2.69 6.5 -40.76 2 4 1 47 267.356 4 ↓
Mid Mid (pH 6-8) 2.69 5.5 -28.59 2 4 1 44 267.356 4 ↓
Mid Mid (pH 6-8) 2.69 5.21 -9.42 1 4 0 43 266.348 4 ↓

Analogs

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Popular Name: N-[(S)-(2-ethylpyrazol-3-yl)-(1-isoquinolyl)methyl]ethanamine N-[(S)-(2-ethylpyrazol-3-yl)-(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) 3.07 7.28 -38.87 2 4 1 47 281.383 5 ↓
Mid Mid (pH 6-8) 3.07 6.16 -9.1 1 4 0 43 280.375 5 ↓

Analogs

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Popular Name: N-[(R)-(2-ethylpyrazol-3-yl)-(1-isoquinolyl)methyl]ethanamine N-[(R)-(2-ethylpyrazol-3-yl)-(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) 3.07 6.78 -39.66 2 4 1 47 281.383 5 ↓
Mid Mid (pH 6-8) 3.07 6.08 -9.17 1 4 0 43 280.375 5 ↓

Parameters Provided:

ring.id = 342877
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 342877 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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