UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (R)-(1-methylimidazol-2-yl)-quinoxalin-6-yl-methanamine (R)-(1-methylimidazol-2-yl)-quin…

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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 3.12 -35.47 3 5 1 71 240.29 2 ↓
Mid Mid (pH 6-8) 0.83 2.56 -11.8 2 5 0 70 239.282 2 ↓
Lo Low (pH 4.5-6) 0.83 3.45 -123.27 4 5 2 72 241.298 2 ↓

Analogs

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Popular Name: (S)-(1-methylimidazol-2-yl)-quinoxalin-6-yl-methanamine (S)-(1-methylimidazol-2-yl)-quin…

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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 3.14 -36.85 3 5 1 71 240.29 2 ↓
Mid Mid (pH 6-8) 0.83 2.56 -11.27 2 5 0 70 239.282 2 ↓
Lo Low (pH 4.5-6) 0.83 3.47 -123.82 4 5 2 72 241.298 2 ↓

Analogs

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Popular Name: (R)-(1-ethylimidazol-2-yl)-quinoxalin-6-yl-methanamine (R)-(1-ethylimidazol-2-yl)-quino…

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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) 1.21 3.99 -36.01 3 5 1 71 254.317 3 ↓
Mid Mid (pH 6-8) 1.21 3.47 -11.31 2 5 0 70 253.309 3 ↓
Lo Low (pH 4.5-6) 1.21 4.32 -122.31 4 5 2 72 255.325 3 ↓

Analogs

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Popular Name: (S)-(1-ethylimidazol-2-yl)-quinoxalin-6-yl-methanamine (S)-(1-ethylimidazol-2-yl)-quino…

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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) 1.21 3.79 -34.66 3 5 1 71 254.317 3 ↓
Mid Mid (pH 6-8) 1.21 3.26 -10.77 2 5 0 70 253.309 3 ↓
Lo Low (pH 4.5-6) 1.21 4.1 -123.24 4 5 2 72 255.325 3 ↓

Analogs

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Popular Name: (R)-(1-propylimidazol-2-yl)-quinoxalin-6-yl-methanamine (R)-(1-propylimidazol-2-yl)-quin…

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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) 1.71 4.75 -36.12 3 5 1 71 268.344 4 ↓
Mid Mid (pH 6-8) 1.71 4.21 -10.24 2 5 0 70 267.336 4 ↓
Lo Low (pH 4.5-6) 1.71 5.08 -123.63 4 5 2 72 269.352 4 ↓

Analogs

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Popular Name: (S)-(1-propylimidazol-2-yl)-quinoxalin-6-yl-methanamine (S)-(1-propylimidazol-2-yl)-quin…

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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) 1.71 4.54 -34.75 3 5 1 71 268.344 4 ↓
Mid Mid (pH 6-8) 1.71 4.02 -10.83 2 5 0 70 267.336 4 ↓
Lo Low (pH 4.5-6) 1.71 4.86 -124.18 4 5 2 72 269.352 4 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(1-methylimidazol-2-yl)-1-quinoxalin-6-yl-methanamine (1S)-N-methyl-1-(1-methylimidazo…

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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) 1.21 3.91 -32.89 2 5 1 57 254.317 3 ↓
Mid Mid (pH 6-8) 1.21 3.35 -11.89 1 5 0 56 253.309 3 ↓
Lo Low (pH 4.5-6) 1.21 4.57 -44.58 2 5 1 60 254.317 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(1-methylimidazol-2-yl)-1-quinoxalin-6-yl-methanamine (1R)-N-methyl-1-(1-methylimidazo…

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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) 1.21 3.96 -34.92 2 5 1 57 254.317 3 ↓
Mid Mid (pH 6-8) 1.21 3.37 -11.3 1 5 0 56 253.309 3 ↓
Lo Low (pH 4.5-6) 1.21 4.43 -44.89 2 5 1 60 254.317 3 ↓

Analogs

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Popular Name: N-[(S)-(1-methylimidazol-2-yl)-quinoxalin-6-yl-methyl]ethanamine N-[(S)-(1-methylimidazol-2-yl)-q…

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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) 1.58 4.92 -32.94 2 5 1 57 268.344 4 ↓
Mid Mid (pH 6-8) 1.58 4.28 -11.63 1 5 0 56 267.336 4 ↓
Lo Low (pH 4.5-6) 1.58 5.96 -112.8 3 5 2 61 269.352 4 ↓

Analogs

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Popular Name: N-[(R)-(1-methylimidazol-2-yl)-quinoxalin-6-yl-methyl]ethanamine N-[(R)-(1-methylimidazol-2-yl)-q…

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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) 1.58 5.02 -35.92 2 5 1 57 268.344 4 ↓
Mid Mid (pH 6-8) 1.58 4.3 -11.06 1 5 0 56 267.336 4 ↓
Lo Low (pH 4.5-6) 1.58 5.27 -43.02 2 5 1 60 268.344 4 ↓

Analogs

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Popular Name: N-[(S)-(1-methylimidazol-2-yl)-quinoxalin-6-yl-methyl]propan-1-amine N-[(S)-(1-methylimidazol-2-yl)-q…

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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) 2.09 5.68 -33.2 2 5 1 57 282.371 5 ↓
Mid Mid (pH 6-8) 2.09 5.12 -11.66 1 5 0 56 281.363 5 ↓
Lo Low (pH 4.5-6) 2.09 6.77 -115.23 3 5 2 61 283.379 5 ↓

Analogs

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Popular Name: N-[(R)-(1-methylimidazol-2-yl)-quinoxalin-6-yl-methyl]propan-1-amine N-[(R)-(1-methylimidazol-2-yl)-q…

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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) 2.09 5.78 -36.1 2 5 1 57 282.371 5 ↓
Mid Mid (pH 6-8) 2.09 5.24 -10.64 1 5 0 56 281.363 5 ↓
Lo Low (pH 4.5-6) 2.09 6.62 -114.99 3 5 2 61 283.379 5 ↓

Analogs

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Popular Name: (1R)-1-(1-ethylimidazol-2-yl)-N-methyl-1-quinoxalin-6-yl-methanamine (1R)-1-(1-ethylimidazol-2-yl)-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) 1.58 4.77 -31.9 2 5 1 57 268.344 4 ↓
Mid Mid (pH 6-8) 1.58 4.26 -11.43 1 5 0 56 267.336 4 ↓
Lo Low (pH 4.5-6) 1.58 5.34 -44.12 2 5 1 60 268.344 4 ↓

Analogs

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Popular Name: (1S)-1-(1-ethylimidazol-2-yl)-N-methyl-1-quinoxalin-6-yl-methanamine (1S)-1-(1-ethylimidazol-2-yl)-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) 1.58 4.59 -34.43 2 5 1 57 268.344 4 ↓
Mid Mid (pH 6-8) 1.58 4.09 -10.96 1 5 0 56 267.336 4 ↓
Lo Low (pH 4.5-6) 1.58 5.27 -43.92 2 5 1 60 268.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(1-ethylimidazol-2-yl)-quinoxalin-6-yl-methyl]ethanamine N-[(S)-(1-ethylimidazol-2-yl)-qu…

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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 5.47 -32.34 2 5 1 57 282.371 5 ↓
Mid Mid (pH 6-8) 1.96 4.96 -11.22 1 5 0 56 281.363 5 ↓
Lo Low (pH 4.5-6) 1.96 6.69 -112.84 3 5 2 61 283.379 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(1-ethylimidazol-2-yl)-quinoxalin-6-yl-methyl]ethanamine N-[(R)-(1-ethylimidazol-2-yl)-qu…

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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 5.76 -34.07 2 5 1 57 282.371 5 ↓
Mid Mid (pH 6-8) 1.96 5.2 -10.53 1 5 0 56 281.363 5 ↓
Lo Low (pH 4.5-6) 1.96 6.74 -112.22 3 5 2 61 283.379 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(1-methylimidazol-2-yl)-quinoxalin-6-yl-methanol (R)-(1-methylimidazol-2-yl)-quin…

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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) 0.79 3.03 -38.32 2 5 1 65 241.274 2 ↓
Mid Mid (pH 6-8) 0.79 2.43 -12.29 1 5 0 64 240.266 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(1-methylimidazol-2-yl)-quinoxalin-6-yl-methanol (S)-(1-methylimidazol-2-yl)-quin…

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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) 0.79 3.04 -38.35 2 5 1 65 241.274 2 ↓
Mid Mid (pH 6-8) 0.79 2.43 -12.21 1 5 0 64 240.266 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(1-ethylimidazol-2-yl)-quinoxalin-6-yl-methanol (R)-(1-ethylimidazol-2-yl)-quino…

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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) 1.17 3.9 -37.52 2 5 1 65 255.301 3 ↓
Mid Mid (pH 6-8) 1.17 3.33 -11.79 1 5 0 64 254.293 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(1-ethylimidazol-2-yl)-quinoxalin-6-yl-methanol (S)-(1-ethylimidazol-2-yl)-quino…

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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) 1.17 3.67 -37.56 2 5 1 65 255.301 3 ↓
Mid Mid (pH 6-8) 1.17 3.12 -11.63 1 5 0 64 254.293 3 ↓

Analogs

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Popular Name: (R)-(1-propylimidazol-2-yl)-quinoxalin-6-yl-methanol (R)-(1-propylimidazol-2-yl)-quin…

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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) 1.67 4.65 -37.62 2 5 1 65 269.328 4 ↓
Mid Mid (pH 6-8) 1.67 4.08 -11.33 1 5 0 64 268.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(1-propylimidazol-2-yl)-quinoxalin-6-yl-methanol (S)-(1-propylimidazol-2-yl)-quin…

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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) 1.67 4.43 -37.57 2 5 1 65 269.328 4 ↓
Mid Mid (pH 6-8) 1.67 3.88 -11.21 1 5 0 64 268.32 4 ↓

Parameters Provided:

ring.id = 215037
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 = 215037 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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