UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (oxoBLAHyl)carbonylmethyl (oxoBLAHyl)carbonylmethyl

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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 0.77 -12.48 1 7 0 85 434.492 7 ↓

Analogs

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Popular Name: 4-[2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane] 4-[2-[4-[5-(trifluoromethyl)-2-p…

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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) 3.44 9.31 -52.8 2 7 1 70 474.507 4 ↓
Hi High (pH 8-9.5) 3.44 7.03 -12.5 1 7 0 69 473.499 4 ↓

Analogs

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Popular Name: (oxoBLAHyl)carbonylmethyl (oxoBLAHyl)carbonylmethyl

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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) 3.80 0.49 -14.2 1 8 0 94 438.48 8 ↓

Analogs

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Popular Name: (oxoBLAHyl)carbonylmethyl (oxoBLAHyl)carbonylmethyl

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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) 3.97 1.55 -12.68 1 6 0 76 408.429 5 ↓

Analogs

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Popular Name: (oxoBLAHyl)carbonylmethyl (oxoBLAHyl)carbonylmethyl

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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) 4.12 1.61 -13.16 1 8 0 94 496.926 5 ↓

Analogs

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Popular Name: 3-methoxy-4-[(oxoBLAHyl)carbonylmethoxy]benzonitrile 3-methoxy-4-[(oxoBLAHyl)carbonyl…

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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) 2.85 1.13 -18.64 1 7 0 92 391.427 4 ↓

Analogs

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Popular Name: (oxoBLAHyl)carbonylmethyl (oxoBLAHyl)carbonylmethyl

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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) 4.49 1.13 -14.53 1 8 0 94 484.936 7 ↓

Analogs

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Popular Name: 4-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one 4-[2-[4-(2,2-difluoroethyl)piper…

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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 4.33 -12.07 1 6 0 56 392.45 4 ↓
Lo Low (pH 4.5-6) 2.31 6.46 -43.44 2 6 1 57 393.458 4 ↓

Analogs

45605897
45605897

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Popular Name: 4-[2-[(2R)-2-methyl-3-oxo-piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one 4-[2-[(2R)-2-methyl-3-oxo-pipera…

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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) 1.15 2.32 -13.83 2 7 0 82 356.426 2 ↓
Mid Mid (pH 6-8) 1.15 4.46 -52.59 3 7 1 83 357.434 2 ↓

Analogs

45605897
45605897

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Popular Name: 4-[2-[(2S)-2-methyl-3-oxo-piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one 4-[2-[(2S)-2-methyl-3-oxo-pipera…

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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) 1.15 2.38 -13.6 2 7 0 82 356.426 2 ↓
Mid Mid (pH 6-8) 1.15 4.43 -51.23 3 7 1 83 357.434 2 ↓

Analogs

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Popular Name: 4-[2-[(2R)-2-phenylmorpholin-4-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one 4-[2-[(2R)-2-phenylmorpholin-4-y…

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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) 3.28 7.4 -10.29 1 6 0 62 405.498 3 ↓

Analogs

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Popular Name: 4-[2-[(2S)-2-phenylmorpholin-4-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one 4-[2-[(2S)-2-phenylmorpholin-4-y…

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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) 3.28 7.14 -10.94 1 6 0 62 405.498 3 ↓

Analogs

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Popular Name: 4-[2-[4-(2-thienylmethyl)piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one 4-[2-[4-(2-thienylmethyl)piperaz…

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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) 3.04 6.06 -9.92 1 6 0 56 424.57 4 ↓
Mid Mid (pH 6-8) 3.04 8.33 -43.28 2 6 1 57 425.578 4 ↓

Parameters Provided:

ring.id = 10531
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 = 10531 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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