UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-(2-cyclopropyl-2-oxo-ethyl)piperazin-2-one 4-(2-cyclopropyl-2-oxo-ethyl)pip…

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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) -0.15 0.81 -13.58 1 4 0 49 182.223 3 ↓
Mid Mid (pH 6-8) -0.15 3.01 -50.19 2 4 1 51 183.231 3 ↓

Analogs

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Popular Name: 4-(2-cyclopropyl-2-oxo-ethyl)-3,3-dimethyl-piperazin-2-one 4-(2-cyclopropyl-2-oxo-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) 0.16 1.73 -9.73 1 4 0 49 210.277 3 ↓
Mid Mid (pH 6-8) 0.16 3.71 -40.43 2 4 1 51 211.285 3 ↓

Analogs

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Popular Name: (3R)-4-(2-cyclopropyl-2-oxo-ethyl)-3-methyl-piperazin-2-one (3R)-4-(2-cyclopropyl-2-oxo-ethy…

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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) -0.32 1.47 -9.52 1 4 0 49 196.25 3 ↓
Mid Mid (pH 6-8) -0.32 3.56 -42.67 2 4 1 51 197.258 3 ↓

Analogs

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Popular Name: (3S)-4-(2-cyclopropyl-2-oxo-ethyl)-3-methyl-piperazin-2-one (3S)-4-(2-cyclopropyl-2-oxo-ethy…

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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) -0.32 1.47 -9.56 1 4 0 49 196.25 3 ↓
Mid Mid (pH 6-8) -0.32 3.56 -42.7 2 4 1 51 197.258 3 ↓

Analogs

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Popular Name: (3R)-4-(2-cyclopropyl-2-oxo-ethyl)-3-ethyl-piperazin-2-one (3R)-4-(2-cyclopropyl-2-oxo-ethy…

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Activity (Go SEA)

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) 0.22 2.77 -9.6 1 4 0 49 210.277 4 ↓
Mid Mid (pH 6-8) 0.22 4.27 -42.6 2 4 1 51 211.285 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(2-cyclopropyl-2-oxo-ethyl)-3-ethyl-piperazin-2-one (3S)-4-(2-cyclopropyl-2-oxo-ethy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.22 2.68 -9.62 1 4 0 49 210.277 4 ↓
Mid Mid (pH 6-8) 0.22 4.25 -42.68 2 4 1 51 211.285 4 ↓

Parameters Provided:

ring.id = 244374
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 = 244374 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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