UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]morpholine-3,5-dione 4-[(2R)-2-cyclopropyl-2-(methyla…

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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) -0.53 2.04 -37.38 2 5 1 63 213.257 4 ↓
Hi High (pH 8-9.5) -0.53 0.48 -7.94 1 5 0 59 212.249 4 ↓

Analogs

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Popular Name: 4-[(2S)-2-cyclopropyl-2-(methylamino)ethyl]morpholine-3,5-dione 4-[(2S)-2-cyclopropyl-2-(methyla…

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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) -0.53 2.42 -34.84 2 5 1 63 213.257 4 ↓
Hi High (pH 8-9.5) -0.53 1.76 -7.99 1 5 0 59 212.249 4 ↓

Analogs

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Popular Name: 4-[(2R)-2-cyclopropyl-2-(ethylamino)ethyl]morpholine-3,5-dione 4-[(2R)-2-cyclopropyl-2-(ethylam…

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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 3.2 -33.85 2 5 1 63 227.284 5 ↓
Hi High (pH 8-9.5) -0.15 2.41 -7.08 1 5 0 59 226.276 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S)-2-cyclopropyl-2-(ethylamino)ethyl]morpholine-3,5-dione 4-[(2S)-2-cyclopropyl-2-(ethylam…

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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) -0.15 3.4 -33.53 2 5 1 63 227.284 5 ↓
Hi High (pH 8-9.5) -0.15 2.48 -6.54 1 5 0 59 226.276 5 ↓

Analogs

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Popular Name: 4-[(2R)-2-cyclopropyl-2-(propylamino)ethyl]morpholine-3,5-dione 4-[(2R)-2-cyclopropyl-2-(propyla…

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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 3.95 -34.24 2 5 1 63 241.311 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S)-2-cyclopropyl-2-(propylamino)ethyl]morpholine-3,5-dione 4-[(2S)-2-cyclopropyl-2-(propyla…

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) 0.35 4.15 -33.86 2 5 1 63 241.311 6 ↓

Parameters Provided:

ring.id = 246974
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 = 246974 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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