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Popular Name: (S)-benzofuran-2-yl-(2-methylpyrazol-3-yl)methanol (S)-benzofuran-2-yl-(2-methylpyr…

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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) 2.11 4.08 -9.97 1 4 0 51 228.251 2 ↓

Analogs

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Popular Name: (R)-benzofuran-2-yl-(2-methylpyrazol-3-yl)methanol (R)-benzofuran-2-yl-(2-methylpyr…

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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) 2.11 3.94 -10.01 1 4 0 51 228.251 2 ↓

Analogs

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Popular Name: (S)-benzofuran-2-yl-(2-methylpyrazol-3-yl)methanamine (S)-benzofuran-2-yl-(2-methylpyr…

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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 4.28 -51.4 3 4 1 59 228.275 2 ↓
Hi High (pH 8-9.5) 2.15 3.97 -9.31 2 4 0 57 227.267 2 ↓

Analogs

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Popular Name: (R)-benzofuran-2-yl-(2-methylpyrazol-3-yl)methanamine (R)-benzofuran-2-yl-(2-methylpyr…

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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 4.3 -50.99 3 4 1 59 228.275 2 ↓
Hi High (pH 8-9.5) 2.15 3.96 -9.44 2 4 0 57 227.267 2 ↓

Analogs

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Popular Name: (1S)-1-(benzofuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine (1S)-1-(benzofuran-2-yl)-N-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) 2.53 5.95 -44.97 2 4 1 48 242.302 3 ↓
Hi High (pH 8-9.5) 2.53 4.77 -9.45 1 4 0 43 241.294 3 ↓

Analogs

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Popular Name: (1R)-1-(benzofuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine (1R)-1-(benzofuran-2-yl)-N-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) 2.53 5.99 -46.31 2 4 1 48 242.302 3 ↓
Hi High (pH 8-9.5) 2.53 4.8 -9.34 1 4 0 43 241.294 3 ↓

Analogs

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Popular Name: N-[(S)-benzofuran-2-yl-(2-methylpyrazol-3-yl)methyl]ethanamine N-[(S)-benzofuran-2-yl-(2-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) 2.90 6.81 -42.96 2 4 1 48 256.329 4 ↓
Hi High (pH 8-9.5) 2.90 5.72 -9.24 1 4 0 43 255.321 4 ↓

Analogs

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Popular Name: N-[(R)-benzofuran-2-yl-(2-methylpyrazol-3-yl)methyl]ethanamine N-[(R)-benzofuran-2-yl-(2-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) 2.90 6.83 -44.33 2 4 1 48 256.329 4 ↓
Hi High (pH 8-9.5) 2.90 5.75 -9.06 1 4 0 43 255.321 4 ↓

Analogs

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Popular Name: N-[(S)-benzofuran-2-yl-(2-methylpyrazol-3-yl)methyl]propan-1-amine N-[(S)-benzofuran-2-yl-(2-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) 3.40 7.56 -43.56 2 4 1 48 270.356 5 ↓
Hi High (pH 8-9.5) 3.40 6.47 -8.75 1 4 0 43 269.348 5 ↓

Analogs

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Popular Name: N-[(R)-benzofuran-2-yl-(2-methylpyrazol-3-yl)methyl]propan-1-amine N-[(R)-benzofuran-2-yl-(2-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) 3.40 7.62 -45 2 4 1 48 270.356 5 ↓
Hi High (pH 8-9.5) 3.40 6.49 -8.85 1 4 0 43 269.348 5 ↓

Analogs

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Popular Name: (S)-benzofuran-2-yl-(2-propylpyrazol-3-yl)methanol (S)-benzofuran-2-yl-(2-propylpyr…

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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) 2.99 5.53 -9.26 1 4 0 51 256.305 4 ↓

Analogs

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Popular Name: (R)-benzofuran-2-yl-(2-propylpyrazol-3-yl)methanol (R)-benzofuran-2-yl-(2-propylpyr…

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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) 2.99 5.56 -9.28 1 4 0 51 256.305 4 ↓

Analogs

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Popular Name: (S)-benzofuran-2-yl-(2-ethylpyrazol-3-yl)methanol (S)-benzofuran-2-yl-(2-ethylpyra…

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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) 2.49 4.77 -9.62 1 4 0 51 242.278 3 ↓

Analogs

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Popular Name: (R)-benzofuran-2-yl-(2-ethylpyrazol-3-yl)methanol (R)-benzofuran-2-yl-(2-ethylpyra…

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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) 2.49 4.81 -9.65 1 4 0 51 242.278 3 ↓

Analogs

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Popular Name: (S)-benzofuran-2-yl-(2-propylpyrazol-3-yl)methanamine (S)-benzofuran-2-yl-(2-propylpyr…

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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) 3.03 5.76 -51.3 3 4 1 59 256.329 4 ↓
Hi High (pH 8-9.5) 3.03 5.42 -8.63 2 4 0 57 255.321 4 ↓

Analogs

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Popular Name: (R)-benzofuran-2-yl-(2-propylpyrazol-3-yl)methanamine (R)-benzofuran-2-yl-(2-propylpyr…

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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) 3.03 5.91 -50.82 3 4 1 59 256.329 4 ↓
Hi High (pH 8-9.5) 3.03 5.58 -8.71 2 4 0 57 255.321 4 ↓

Analogs

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Popular Name: (S)-benzofuran-2-yl-(2-ethylpyrazol-3-yl)methanamine (S)-benzofuran-2-yl-(2-ethylpyra…

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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) 2.53 5.02 -51.35 3 4 1 59 242.302 3 ↓
Hi High (pH 8-9.5) 2.53 4.68 -8.92 2 4 0 57 241.294 3 ↓

Analogs

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Popular Name: (R)-benzofuran-2-yl-(2-ethylpyrazol-3-yl)methanamine (R)-benzofuran-2-yl-(2-ethylpyra…

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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) 2.53 5.16 -50.78 3 4 1 59 242.302 3 ↓
Hi High (pH 8-9.5) 2.53 4.82 -9.08 2 4 0 57 241.294 3 ↓

Analogs

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Popular Name: (1S)-1-(benzofuran-2-yl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine (1S)-1-(benzofuran-2-yl)-N-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) 3.40 7.4 -44.86 2 4 1 48 270.356 5 ↓
Hi High (pH 8-9.5) 3.40 6.26 -8.69 1 4 0 43 269.348 5 ↓

Analogs

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Popular Name: (1R)-1-(benzofuran-2-yl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine (1R)-1-(benzofuran-2-yl)-N-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) 3.40 7.71 -45.15 2 4 1 48 270.356 5 ↓
Hi High (pH 8-9.5) 3.40 6.39 -8.76 1 4 0 43 269.348 5 ↓

Analogs

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Popular Name: (1S)-1-(benzofuran-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methyl-methanamine (1S)-1-(benzofuran-2-yl)-1-(2-et…

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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) 2.90 6.64 -44.92 2 4 1 48 256.329 4 ↓
Hi High (pH 8-9.5) 2.90 5.59 -9.11 1 4 0 43 255.321 4 ↓

Analogs

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Popular Name: (1R)-1-(benzofuran-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methyl-methanamine (1R)-1-(benzofuran-2-yl)-1-(2-et…

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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) 2.90 6.95 -45.1 2 4 1 48 256.329 4 ↓
Hi High (pH 8-9.5) 2.90 5.64 -9.16 1 4 0 43 255.321 4 ↓

Analogs

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Popular Name: N-[(S)-benzofuran-2-yl-(2-propylpyrazol-3-yl)methyl]ethanamine N-[(S)-benzofuran-2-yl-(2-propyl…

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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) 3.78 8.24 -42.79 2 4 1 48 284.383 6 ↓
Hi High (pH 8-9.5) 3.78 7.2 -8.44 1 4 0 43 283.375 6 ↓

Analogs

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Popular Name: N-[(R)-benzofuran-2-yl-(2-propylpyrazol-3-yl)methyl]ethanamine N-[(R)-benzofuran-2-yl-(2-propyl…

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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) 3.78 8.55 -43.18 2 4 1 48 284.383 6 ↓
Hi High (pH 8-9.5) 3.78 7.31 -8.52 1 4 0 43 283.375 6 ↓

Analogs

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Popular Name: N-[(S)-benzofuran-2-yl-(2-ethylpyrazol-3-yl)methyl]ethanamine N-[(S)-benzofuran-2-yl-(2-ethylp…

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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) 3.28 7.67 -42.72 2 4 1 48 270.356 5 ↓
Hi High (pH 8-9.5) 3.28 6.58 -8.91 1 4 0 43 269.348 5 ↓

Analogs

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Popular Name: N-[(R)-benzofuran-2-yl-(2-ethylpyrazol-3-yl)methyl]ethanamine N-[(R)-benzofuran-2-yl-(2-ethylp…

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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) 3.28 7.33 -44.2 2 4 1 48 270.356 5 ↓
Hi High (pH 8-9.5) 3.28 6.44 -8.87 1 4 0 43 269.348 5 ↓

Analogs

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Popular Name: N-[(S)-benzofuran-2-yl-(2-ethylpyrazol-3-yl)methyl]propan-1-amine N-[(S)-benzofuran-2-yl-(2-ethylp…

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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) 3.78 8.42 -43.28 2 4 1 48 284.383 6 ↓
Hi High (pH 8-9.5) 3.78 7.3 -8.47 1 4 0 43 283.375 6 ↓

Analogs

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Popular Name: N-[(R)-benzofuran-2-yl-(2-ethylpyrazol-3-yl)methyl]propan-1-amine N-[(R)-benzofuran-2-yl-(2-ethylp…

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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) 3.78 8.14 -44.88 2 4 1 48 284.383 6 ↓
Hi High (pH 8-9.5) 3.78 7.17 -8.55 1 4 0 43 283.375 6 ↓

Parameters Provided:

ring.id = 342710
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 = 342710 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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