UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(4-acetylpiperazin-1-yl)-1-cyclopropyl-ethanone 2-(4-acetylpiperazin-1-yl)-1-cyc…

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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) -0.36 3.73 -12.91 0 4 0 41 210.277 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-(4-ethylpiperazin-1-yl)ethanone 1-cyclopropyl-2-(4-ethylpiperazi…

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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) 0.65 5.33 -33.68 1 3 1 25 197.302 4 ↓
Hi High (pH 8-9.5) 0.65 3.05 -5.67 0 3 0 24 196.294 4 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-(4-methylpiperazin-1-yl)ethanone 1-cyclopropyl-2-(4-methylpiperaz…

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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) 0.27 4.64 -35.16 1 3 1 25 183.275 3 ↓
Hi High (pH 8-9.5) 0.27 2.27 -5.89 0 3 0 24 182.267 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-(4-isopropylpiperazin-1-yl)ethanone 1-cyclopropyl-2-(4-isopropylpipe…

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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) 0.95 5.84 -32.37 1 3 1 25 211.329 4 ↓
Hi High (pH 8-9.5) 0.95 3.6 -5.7 0 3 0 24 210.321 4 ↓

Analogs

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Popular Name: 2-(4-tert-butylpiperazin-1-yl)-1-cyclopropyl-ethanone 2-(4-tert-butylpiperazin-1-yl)-1…

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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) 1.46 6.06 -31.46 1 3 1 25 225.356 4 ↓
Hi High (pH 8-9.5) 1.46 3.92 -5.4 0 3 0 24 224.348 4 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone 1-cyclopropyl-2-[4-(2-hydroxyeth…

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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) -0.36 -0.26 -7.86 1 4 0 44 212.293 5 ↓
Mid Mid (pH 6-8) -0.36 2.09 -33.44 2 4 1 45 213.301 5 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]ethanone 1-cyclopropyl-2-[4-[(1R)-1-methy…

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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) 1.48 6.42 -32.15 1 3 1 25 225.356 5 ↓
Hi High (pH 8-9.5) 1.48 4.5 -5.15 0 3 0 24 224.348 5 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]ethanone 1-cyclopropyl-2-[4-[(1S)-1-methy…

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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) 1.48 6.43 -32.47 1 3 1 25 225.356 5 ↓
Hi High (pH 8-9.5) 1.48 4.51 -5.13 0 3 0 24 224.348 5 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-(4-isobutylpiperazin-1-yl)ethanone 1-cyclopropyl-2-(4-isobutylpiper…

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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) 1.40 6.77 -34.11 1 3 1 25 225.356 5 ↓
Hi High (pH 8-9.5) 1.40 4.78 -5.32 0 3 0 24 224.348 5 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-(4-methylsulfonylpiperazin-1-yl)ethanone 1-cyclopropyl-2-(4-methylsulfony…

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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) -0.35 1.33 -12.31 0 5 0 58 246.332 4 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[(3R)-3,4-dimethylpiperazin-1-yl]ethanone 1-cyclopropyl-2-[(3R)-3,4-dimeth…

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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) 0.60 5.16 -33.25 1 3 1 25 197.302 3 ↓
Hi High (pH 8-9.5) 0.60 2.84 -5.79 0 3 0 24 196.294 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[(3S)-3,4-dimethylpiperazin-1-yl]ethanone 1-cyclopropyl-2-[(3S)-3,4-dimeth…

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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) 0.60 5.16 -33.26 1 3 1 25 197.302 3 ↓
Hi High (pH 8-9.5) 0.60 2.84 -5.81 0 3 0 24 196.294 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[(3S)-4-ethyl-3-methyl-piperazin-1-yl]ethanone 1-cyclopropyl-2-[(3S)-4-ethyl-3-…

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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) 0.98 5.8 -31.84 1 3 1 25 211.329 4 ↓
Hi High (pH 8-9.5) 0.98 3.62 -5.71 0 3 0 24 210.321 4 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[(3R)-3-ethyl-4-methyl-piperazin-1-yl]ethanone 1-cyclopropyl-2-[(3R)-3-ethyl-4-…

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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) 1.14 5.75 -33.64 1 3 1 25 211.329 4 ↓
Hi High (pH 8-9.5) 1.14 3.42 -5.66 0 3 0 24 210.321 4 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[(3S)-3-ethyl-4-methyl-piperazin-1-yl]ethanone 1-cyclopropyl-2-[(3S)-3-ethyl-4-…

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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) 1.14 5.76 -33.63 1 3 1 25 211.329 4 ↓
Hi High (pH 8-9.5) 1.14 3.43 -5.67 0 3 0 24 210.321 4 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-(3,3,4-trimethylpiperazin-1-yl)ethanone 1-cyclopropyl-2-(3,3,4-trimethyl…

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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) 1.08 5.85 -32.48 1 3 1 25 211.329 3 ↓
Hi High (pH 8-9.5) 1.08 3.57 -5.34 0 3 0 24 210.321 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[4-(2-dimethylaminoethyl)piperazin-1-yl]ethanone 1-cyclopropyl-2-[4-(2-dimethylam…

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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) 0.30 4.33 -37.6 1 4 1 28 240.371 6 ↓
Hi High (pH 8-9.5) 0.30 1.84 -5.87 0 4 0 27 239.363 6 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone 1-cyclopropyl-2-[4-(2,2,2-triflu…

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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) 1.20 3.59 -7.17 0 3 0 24 250.264 5 ↓

Parameters Provided:

ring.id = 243681
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 = 243681 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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