UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-(4-cyclohexylpiperazin-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) 2.94 9.08 -18.2 0 6 0 47 370.497 4 ↓
Mid Mid (pH 6-8) 2.94 11.23 -54.24 1 6 1 48 371.505 4 ↓

Analogs

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Popular Name: 1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-(4-cyclohexylpiperazin-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) 3.39 9.76 -18.18 0 6 0 47 384.524 4 ↓
Mid Mid (pH 6-8) 3.39 11.9 -54.14 1 6 1 48 385.532 4 ↓

Analogs

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Popular Name: 1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxo-ethyl]-3-(2-fluorophenyl)imidazolidin-2-one 1-[2-(4-cyclohexylpiperazin-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) 3.06 9.43 -18.76 0 6 0 47 388.487 4 ↓
Mid Mid (pH 6-8) 3.06 11.58 -54.65 1 6 1 48 389.495 4 ↓

Analogs

4459989
4459989
6675699
6675699
6675779
6675779

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

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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) 3.60 9.6 -16.05 0 6 0 47 404.942 4 ↓
Mid Mid (pH 6-8) 3.60 11.75 -52.93 1 6 1 48 405.95 4 ↓

Analogs

4918283
4918283
5096303
5096303
4423402
4423402

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

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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) 3.62 9.6 -17.18 0 6 0 47 404.942 4 ↓
Mid Mid (pH 6-8) 3.62 11.75 -53.95 1 6 1 48 405.95 4 ↓

Analogs

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Popular Name: 1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxo-ethyl]-3-(3,4-difluorophenyl)imidazolidin-2-one 1-[2-(4-cyclohexylpiperazin-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) 3.20 9.2 -16.34 0 6 0 47 406.477 4 ↓
Mid Mid (pH 6-8) 3.20 11.35 -54.18 1 6 1 48 407.485 4 ↓

Analogs

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Popular Name: 1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxo-ethyl]-3-(4-methoxyphenyl)imidazolidin-2-one 1-[2-(4-cyclohexylpiperazin-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) 3.00 8.37 -18.5 0 7 0 56 400.523 5 ↓
Mid Mid (pH 6-8) 3.00 10.53 -54.92 1 7 1 58 401.531 5 ↓

Analogs

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Popular Name: 1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxo-ethyl]-3-(2-methoxyphenyl)imidazolidin-2-one 1-[2-(4-cyclohexylpiperazin-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) 2.95 8.72 -19.56 0 7 0 56 400.523 5 ↓
Mid Mid (pH 6-8) 2.95 10.87 -55.09 1 7 1 58 401.531 5 ↓

Analogs

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Popular Name: 1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxo-ethyl]-3-(4-ethoxyphenyl)imidazolidin-2-one 1-[2-(4-cyclohexylpiperazin-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) 3.38 9.3 -18.38 0 7 0 56 414.55 6 ↓
Mid Mid (pH 6-8) 3.38 11.45 -54.75 1 7 1 58 415.558 6 ↓

Analogs

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Popular Name: 1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxo-ethyl]-3-(3,4-dimethoxyphenyl)imidazolidin-2-one 1-[2-(4-cyclohexylpiperazin-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) 2.59 8.28 -20.27 0 8 0 66 430.549 6 ↓
Mid Mid (pH 6-8) 2.59 10.43 -57.37 1 8 1 67 431.557 6 ↓

Analogs

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Popular Name: 1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxo-ethyl]-3-(2,5-dimethoxyphenyl)imidazolidin-2-one 1-[2-(4-cyclohexylpiperazin-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) 2.99 8.02 -21.66 0 8 0 66 430.549 6 ↓
Mid Mid (pH 6-8) 2.99 10.17 -56.66 1 8 1 67 431.557 6 ↓

Analogs

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Popular Name: 1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxo-ethyl]-3-(4-isopropylphenyl)imidazolidin-2-one 1-[2-(4-cyclohexylpiperazin-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) 4.46 11 -17.8 0 6 0 47 412.578 5 ↓
Mid Mid (pH 6-8) 4.46 13.16 -53.68 1 6 1 48 413.586 5 ↓

Parameters Provided:

ring.id = 558464
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 = 558464 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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