UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-(4-benzhydrylpiperazin-1-yl…

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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) 4.22 13.83 -20 0 6 0 47 454.574 6 ↓
Lo Low (pH 4.5-6) 4.22 15.42 -51.69 1 6 1 48 455.582 6 ↓

Analogs

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Popular Name: 1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-(4-benzhydrylpiperazin-1-yl…

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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) 4.66 14.27 -19.88 0 6 0 47 468.601 6 ↓
Lo Low (pH 4.5-6) 4.66 16.09 -51.67 1 6 1 48 469.609 6 ↓

Analogs

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Popular Name: 1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]-3-(4-fluorophenyl)imidazolidin-2-one 1-[2-(4-benzhydrylpiperazin-1-yl…

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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) 4.38 13.9 -19.5 0 6 0 47 472.564 6 ↓
Lo Low (pH 4.5-6) 4.38 15.49 -52.24 1 6 1 48 473.572 6 ↓

Analogs

740025
740025
740026
740026

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Popular Name: 1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]-3-(2-fluorophenyl)imidazolidin-2-one 1-[2-(4-benzhydrylpiperazin-1-yl…

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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) 4.33 14.18 -20.37 0 6 0 47 472.564 6 ↓
Lo Low (pH 4.5-6) 4.33 15.77 -52.21 1 6 1 48 473.572 6 ↓

Analogs

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Popular Name: 1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]-3-(3-chlorophenyl)imidazolidin-2-one 1-[2-(4-benzhydrylpiperazin-1-yl…

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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) 4.87 14.35 -17.7 0 6 0 47 489.019 6 ↓
Lo Low (pH 4.5-6) 4.87 15.94 -50.82 1 6 1 48 490.027 6 ↓

Analogs

16613258
16613258
16646469
16646469

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Popular Name: 1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]-3-(4-chlorophenyl)imidazolidin-2-one 1-[2-(4-benzhydrylpiperazin-1-yl…

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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) 4.89 14.35 -18.98 0 6 0 47 489.019 6 ↓
Lo Low (pH 4.5-6) 4.89 15.94 -51.59 1 6 1 48 490.027 6 ↓

Analogs

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Popular Name: 1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]-3-(3,4-difluorophenyl)imidazolidin-2-one 1-[2-(4-benzhydrylpiperazin-1-yl…

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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) 4.47 13.95 -17.95 0 6 0 47 490.554 6 ↓
Lo Low (pH 4.5-6) 4.47 15.54 -52.31 1 6 1 48 491.562 6 ↓

Analogs

740065
740065

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Popular Name: 1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]-3-(4-methoxyphenyl)imidazolidin-2-one 1-[2-(4-benzhydrylpiperazin-1-yl…

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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) 4.27 12.87 -20.2 0 7 0 56 484.6 7 ↓
Lo Low (pH 4.5-6) 4.27 14.7 -52.59 1 7 1 58 485.608 7 ↓

Analogs

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Popular Name: 1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]-3-(2-methoxyphenyl)imidazolidin-2-one 1-[2-(4-benzhydrylpiperazin-1-yl…

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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) 4.22 13.26 -21.21 0 7 0 56 484.6 7 ↓
Lo Low (pH 4.5-6) 4.22 15.05 -52.62 1 7 1 58 485.608 7 ↓

Analogs

740065
740065

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Popular Name: 1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]-3-(4-ethoxyphenyl)imidazolidin-2-one 1-[2-(4-benzhydrylpiperazin-1-yl…

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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) 4.65 13.81 -20 0 7 0 56 498.627 8 ↓
Lo Low (pH 4.5-6) 4.65 15.63 -52.43 1 7 1 58 499.635 8 ↓

Analogs

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Popular Name: 1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]-3-(3,4-dimethoxyphenyl)imidazolidin-2-one 1-[2-(4-benzhydrylpiperazin-1-yl…

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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) 3.86 12.79 -21.94 0 8 0 66 514.626 8 ↓
Lo Low (pH 4.5-6) 3.86 14.61 -55.04 1 8 1 67 515.634 8 ↓

Analogs

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Popular Name: 1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]-3-(2,5-dimethoxyphenyl)imidazolidin-2-one 1-[2-(4-benzhydrylpiperazin-1-yl…

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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) 4.26 12.56 -23.28 0 8 0 66 514.626 8 ↓
Lo Low (pH 4.5-6) 4.26 14.35 -54.13 1 8 1 67 515.634 8 ↓

Analogs

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Popular Name: 1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]-3-(4-isopropylphenyl)imidazolidin-2-one 1-[2-(4-benzhydrylpiperazin-1-yl…

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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) 5.73 15.51 -19.44 0 6 0 47 496.655 7 ↓
Lo Low (pH 4.5-6) 5.73 17.33 -51.14 1 6 1 48 497.663 7 ↓

Parameters Provided:

ring.id = 558319
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 = 558319 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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