UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-amino-2-[(2S)-2-(1-piperidyl)propyl]isoindoline-1,3-dione 4-amino-2-[(2S)-2-(1-piperidyl)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) 1.91 6.39 -32.72 3 5 1 70 288.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(2R)-2-(1-piperidyl)propyl]isoindoline-1,3-dione 4-amino-2-[(2R)-2-(1-piperidyl)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) 1.91 6.37 -32.77 3 5 1 70 288.371 3 ↓

Analogs

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Popular Name: 5-amino-2-[(2S)-2-(1-piperidyl)propyl]isoindoline-1,3-dione 5-amino-2-[(2S)-2-(1-piperidyl)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) 1.85 6.28 -33.11 3 5 1 70 288.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[(2R)-2-(1-piperidyl)propyl]isoindoline-1,3-dione 5-amino-2-[(2R)-2-(1-piperidyl)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) 1.85 6.27 -33.17 3 5 1 70 288.371 3 ↓

Analogs

51951904
51951904
52004055
52004055
271606
271606

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Popular Name: 2-[2-(4-amino-1-piperidyl)ethyl]isoindoline-1,3-dione 2-[2-(4-amino-1-piperidyl)ethyl]…

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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) 0.82 2.95 -47.78 3 5 1 70 274.344 3 ↓
Lo Low (pH 4.5-6) 0.82 5.19 -107.41 4 5 2 71 275.352 3 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.69 7.43 -13.15 0 6 0 69 330.384 6 ↓
Mid Mid (pH 6-8) 2.69 9.51 -35.86 1 6 1 70 331.392 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.69 7.43 -13.19 0 6 0 69 330.384 6 ↓
Mid Mid (pH 6-8) 2.69 9.5 -35.89 1 6 1 70 331.392 6 ↓

Analogs

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Popular Name: 2-[2-[(3S)-3-(trifluoromethyl)-1-piperidyl]ethyl]isoindoline-1,3-dione 2-[2-[(3S)-3-(trifluoromethyl)-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) 3.25 8.84 -40.94 1 4 1 44 327.326 4 ↓
Mid Mid (pH 6-8) 3.25 6.61 -8.6 0 4 0 42 326.318 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(3R)-3-(trifluoromethyl)-1-piperidyl]ethyl]isoindoline-1,3-dione 2-[2-[(3R)-3-(trifluoromethyl)-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) 3.25 8.84 -40.97 1 4 1 44 327.326 4 ↓
Mid Mid (pH 6-8) 3.25 6.61 -8.62 0 4 0 42 326.318 4 ↓

Analogs

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Popular Name: 1-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-N,N-dimethyl-piperidine-4-carboxamide 1-[2-(1,3-dioxoisoindolin-2-yl)e…

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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) 1.24 7.83 -46.02 1 6 1 64 330.408 4 ↓
Hi High (pH 8-9.5) 1.24 5.62 -14.59 0 6 0 63 329.4 4 ↓

Analogs

44513986
44513986

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Popular Name: 2-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]ethyl]isoindoline-1,3-dione 2-[2-[(3S,5R)-3,5-dimethyl-1-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) 3.18 9.12 -34.9 1 4 1 44 287.383 3 ↓

Analogs

44513986
44513986

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Popular Name: 2-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]ethyl]isoindoline-1,3-dione 2-[2-[(3S,5S)-3,5-dimethyl-1-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) 3.18 9.13 -34.13 1 4 1 44 287.383 3 ↓

Analogs

44513986
44513986

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]ethyl]isoindoline-1,3-dione 2-[2-[(3R,5R)-3,5-dimethyl-1-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) 3.18 9.13 -34.15 1 4 1 44 287.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[2-(1-piperidyl)ethyl]isoindoline-1,3-dione 5-amino-2-[2-(1-piperidyl)ethyl]…

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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) 1.51 5.8 -34.43 3 5 1 70 274.344 3 ↓

Parameters Provided:

ring.id = 14762
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 = 14762 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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