UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[[(1R)-2,2-dichloro-1-methyl-cyclopropanecarbonyl]amino]-3-[(3R)-1,1-dioxothiolan-3-yl]urea 1-[[(1R)-2,2-dichloro-1-methyl-c…

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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) 0.17 0.2 -22.96 3 7 0 104 344.22 3 ↓

Analogs

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Popular Name: 1-[[(1S)-2,2-dichloro-1-methyl-cyclopropanecarbonyl]amino]-3-[(3R)-1,1-dioxothiolan-3-yl]urea 1-[[(1S)-2,2-dichloro-1-methyl-c…

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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) 0.17 0.2 -22.97 3 7 0 104 344.22 3 ↓

Analogs

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Popular Name: 1-[[(1R)-2,2-dichloro-1-methyl-cyclopropanecarbonyl]amino]-3-[(3S)-1,1-dioxothiolan-3-yl]urea 1-[[(1R)-2,2-dichloro-1-methyl-c…

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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) 0.17 0.2 -21.97 3 7 0 104 344.22 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1S)-2,2-dichloro-1-methyl-cyclopropanecarbonyl]amino]-3-[(3S)-1,1-dioxothiolan-3-yl]urea 1-[[(1S)-2,2-dichloro-1-methyl-c…

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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) 0.17 0.2 -21.96 3 7 0 104 344.22 3 ↓

Analogs

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Popular Name: 1-(cyclopropanecarbonylamino)-3-[(3R)-1,1-dioxothiolan-3-yl]urea 1-(cyclopropanecarbonylamino)-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) -0.78 -1.46 -24.6 3 7 0 104 261.303 3 ↓

Analogs

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Popular Name: 1-(cyclopropanecarbonylamino)-3-[(3S)-1,1-dioxothiolan-3-yl]urea 1-(cyclopropanecarbonylamino)-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) -0.78 -1.43 -23.46 3 7 0 104 261.303 3 ↓

Analogs

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Popular Name: 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[[(1R,2S)-2-nitrocyclopropanecarbonyl]amino]urea 1-[(3R)-1,1-dioxothiolan-3-yl]-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) -1.27 -0.01 -36.19 3 10 0 150 306.3 4 ↓

Analogs

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Popular Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-3-[[(1R,2S)-2-nitrocyclopropanecarbonyl]amino]urea 1-[(3S)-1,1-dioxothiolan-3-yl]-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) -1.27 0.03 -34.73 3 10 0 150 306.3 4 ↓

Analogs

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Popular Name: 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[[(1S,2S)-2-nitrocyclopropanecarbonyl]amino]urea 1-[(3R)-1,1-dioxothiolan-3-yl]-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) -1.27 -1.07 -28.11 3 10 0 150 306.3 4 ↓

Analogs

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Popular Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-3-[[(1S,2S)-2-nitrocyclopropanecarbonyl]amino]urea 1-[(3S)-1,1-dioxothiolan-3-yl]-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) -1.27 -1.03 -27.38 3 10 0 150 306.3 4 ↓

Parameters Provided:

ring.id = 541817
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 = 541817 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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