UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [2-(imidazol-1-ylmethyl)benzofuran-3-yl]methanamine [2-(imidazol-1-ylmethyl)benzofur…

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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 6.73 -115.45 4 4 2 60 229.283 3 ↓
Hi High (pH 8-9.5) 1.27 5.92 -10.58 2 4 0 57 227.267 3 ↓
Mid Mid (pH 6-8) 1.27 6.21 -61.3 3 4 1 59 228.275 3 ↓

Analogs

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Popular Name: 1-[2-(imidazol-1-ylmethyl)benzofuran-3-yl]-N-methyl-methanamine 1-[2-(imidazol-1-ylmethyl)benzof…

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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 -102.24 3 4 2 49 243.31 4 ↓
Mid Mid (pH 6-8) 1.64 8.04 -55.39 2 4 1 48 242.302 4 ↓

Analogs

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Popular Name: N-[[2-(imidazol-1-ylmethyl)benzofuran-3-yl]methyl]ethanamine N-[[2-(imidazol-1-ylmethyl)benzo…

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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) 2.02 9.4 -102.38 3 4 2 49 257.337 5 ↓
Mid Mid (pH 6-8) 2.02 8.89 -54.42 2 4 1 48 256.329 5 ↓

Analogs

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Popular Name: N-[[2-(imidazol-1-ylmethyl)benzofuran-3-yl]methyl]propan-1-amine N-[[2-(imidazol-1-ylmethyl)benzo…

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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) 2.52 10.17 -104.14 3 4 2 49 271.364 6 ↓
Mid Mid (pH 6-8) 2.52 9.64 -55.38 2 4 1 48 270.356 6 ↓

Analogs

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Popular Name: N-[[2-(imidazol-1-ylmethyl)benzofuran-3-yl]methyl]propan-2-amine N-[[2-(imidazol-1-ylmethyl)benzo…

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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 9.94 -101.4 3 4 2 49 271.364 5 ↓
Mid Mid (pH 6-8) 2.31 9.42 -52.53 2 4 1 48 270.356 5 ↓

Analogs

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Popular Name: N-[[2-(imidazol-1-ylmethyl)benzofuran-3-yl]methyl]-2-methyl-propan-2-amine N-[[2-(imidazol-1-ylmethyl)benzo…

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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) 2.83 10.34 -98.69 3 4 2 49 285.391 5 ↓
Mid Mid (pH 6-8) 2.83 9.83 -49.75 2 4 1 48 284.383 5 ↓

Analogs

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Popular Name: N-[[2-(imidazol-1-ylmethyl)benzofuran-3-yl]methyl]-2-methyl-propan-1-amine N-[[2-(imidazol-1-ylmethyl)benzo…

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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) 2.76 10.86 -105.15 3 4 2 49 285.391 6 ↓
Mid Mid (pH 6-8) 2.76 10.35 -55.43 2 4 1 48 284.383 6 ↓

Analogs

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Popular Name: [2-[(2-methylimidazol-1-yl)methyl]benzofuran-3-yl]methanamine [2-[(2-methylimidazol-1-yl)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) 1.35 6.47 -105.69 4 4 2 60 243.31 3 ↓
Hi High (pH 8-9.5) 1.35 5.59 -10.78 2 4 0 57 241.294 3 ↓
Mid Mid (pH 6-8) 1.35 5.99 -61.65 3 4 1 59 242.302 3 ↓

Analogs

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Popular Name: N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]benzofuran-3-yl]methanamine N-methyl-1-[2-[(2-methylimidazol…

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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) 1.73 8.34 -99.61 3 4 2 49 257.337 4 ↓
Mid Mid (pH 6-8) 1.73 7.86 -55.16 2 4 1 48 256.329 4 ↓

Analogs

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Popular Name: N-[[2-[(2-methylimidazol-1-yl)methyl]benzofuran-3-yl]methyl]ethanamine N-[[2-[(2-methylimidazol-1-yl)me…

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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) 2.10 9.19 -99.68 3 4 2 49 271.364 5 ↓
Mid Mid (pH 6-8) 2.10 8.71 -54.11 2 4 1 48 270.356 5 ↓

Analogs

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Popular Name: N-[[2-[(2-methylimidazol-1-yl)methyl]benzofuran-3-yl]methyl]propan-1-amine N-[[2-[(2-methylimidazol-1-yl)me…

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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) 2.61 9.94 -101.38 3 4 2 49 285.391 6 ↓
Mid Mid (pH 6-8) 2.61 9.46 -55.06 2 4 1 48 284.383 6 ↓

Analogs

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Popular Name: N-[[2-[(2-methylimidazol-1-yl)methyl]benzofuran-3-yl]methyl]propan-2-amine N-[[2-[(2-methylimidazol-1-yl)me…

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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) 2.40 9.72 -97.18 3 4 2 49 285.391 5 ↓
Mid Mid (pH 6-8) 2.40 9.25 -52.33 2 4 1 48 284.383 5 ↓

Parameters Provided:

ring.id = 260463
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 = 260463 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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