UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[cyclopropyl-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[[(3R)-1,1-dio…

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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) -1.83 2.12 -42.57 2 7 0 108 290.341 6 ↓
Hi High (pH 8-9.5) -1.83 0.29 -59.16 1 7 -1 107 289.333 6 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[[(3S)-1,1-dio…

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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) -1.83 2.1 -53.54 2 7 0 108 290.341 6 ↓
Hi High (pH 8-9.5) -1.83 0.09 -58.67 1 7 -1 107 289.333 6 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[[(3R)-1,1-dio…

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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) -2.09 3.85 -41.18 1 7 0 99 304.368 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopropyl-[2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[[(3S)-1,1-dio…

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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) -2.09 3.8 -50.85 1 7 0 99 304.368 6 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethyl-amino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[[(3R)-1,1-dio…

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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) -1.71 4.81 -50.99 1 7 0 99 318.395 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-amino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[[(3S)-1,1-dio…

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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) -1.71 4.8 -52.49 1 7 0 99 318.395 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-[[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]amino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[[(3S)-3-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) -1.38 2.58 -38.99 2 7 0 108 304.368 6 ↓
Hi High (pH 8-9.5) -1.38 0.75 -53.65 1 7 -1 107 303.36 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopropyl-[2-[[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]amino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[[(3R)-3-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) -1.38 2.57 -48.42 2 7 0 108 304.368 6 ↓
Hi High (pH 8-9.5) -1.38 0.57 -55.37 1 7 -1 107 303.36 6 ↓

Analogs

48441319
48441319
48441320
48441320
48574276
48574276
48574279
48574279
2458632
2458632

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Popular Name: 2-(cyclopropylamino)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-acetamide 2-(cyclopropylamino)-N-[(3R)-1,1…

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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) -0.51 2.64 -52.5 2 5 1 71 271.362 5 ↓
Hi High (pH 8-9.5) -0.51 1.36 -17.55 1 5 0 66 270.354 5 ↓

Analogs

48441319
48441319
48441320
48441320
48574276
48574276
48574279
48574279
2458632
2458632

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-acetamide 2-(cyclopropylamino)-N-[(3S)-1,1…

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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) -0.51 2.64 -50.61 2 5 1 71 271.362 5 ↓
Hi High (pH 8-9.5) -0.51 1.36 -15.49 1 5 0 66 270.354 5 ↓

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) 0.07 3.08 -53.7 2 7 1 94 319.403 8 ↓
Mid Mid (pH 6-8) 0.07 1.12 -19.65 1 7 0 93 318.395 8 ↓

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) 0.07 3.15 -50.05 2 7 1 94 319.403 8 ↓
Mid Mid (pH 6-8) 0.07 1.3 -18.81 1 7 0 93 318.395 8 ↓

Parameters Provided:

ring.id = 571248
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 = 571248 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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