UCSF
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Analogs

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Popular Name: N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-4-chloro-benzamide N-(2-benzyl-3,4-dihydro-1H-pyraz…

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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) 4.21 10.53 -19.22 1 5 0 50 416.912 4 ↓
Mid Mid (pH 6-8) 4.21 10.97 -32.8 2 5 1 51 417.92 4 ↓

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Popular Name: N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-4-nitro-benzamide N-(2-benzyl-3,4-dihydro-1H-pyraz…

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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) 3.49 10.73 -21.45 1 8 0 96 427.464 5 ↓
Mid Mid (pH 6-8) 3.49 11.16 -38.27 2 8 1 97 428.472 5 ↓

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Popular Name: N-[2-[(1S)-1-phenylethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide N-[2-[(1S)-1-phenylethyl]-3,4-di…

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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) 4.09 10.9 -17.63 1 5 0 50 396.494 4 ↓
Mid Mid (pH 6-8) 4.09 11.32 -31.66 2 5 1 51 397.502 4 ↓

Analogs

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Popular Name: N-[2-[(1R)-1-phenylethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide N-[2-[(1R)-1-phenylethyl]-3,4-di…

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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) 4.09 10.97 -19.82 1 5 0 50 396.494 4 ↓
Mid Mid (pH 6-8) 4.09 11.39 -30.72 2 5 1 51 397.502 4 ↓

Analogs

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Popular Name: 3-nitro-N-[2-[(1S)-1-phenylethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide 3-nitro-N-[2-[(1S)-1-phenylethyl…

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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) 4.03 11.58 -24.73 1 8 0 96 441.491 5 ↓
Mid Mid (pH 6-8) 4.03 12.01 -40.86 2 8 1 97 442.499 5 ↓

Analogs

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Popular Name: 3-nitro-N-[2-[(1R)-1-phenylethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide 3-nitro-N-[2-[(1R)-1-phenylethyl…

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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) 4.03 11.65 -27.16 1 8 0 96 441.491 5 ↓
Mid Mid (pH 6-8) 4.03 12.09 -40.05 2 8 1 97 442.499 5 ↓

Parameters Provided:

ring.id = 423149
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 = 423149 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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