UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3R)-3-(1,2,4-oxadiazol-3-yl)-1,1-dioxo-thiolan-3-amine (3R)-3-(1,2,4-oxadiazol-3-yl)-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) -1.23 -4.78 -15.89 2 6 0 99 203.223 1 ↓
Mid Mid (pH 6-8) -1.23 -4.54 -63.37 3 6 1 101 204.231 1 ↓

Analogs

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Popular Name: (3S)-3-(1,2,4-oxadiazol-3-yl)-1,1-dioxo-thiolan-3-amine (3S)-3-(1,2,4-oxadiazol-3-yl)-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) -1.23 -4.72 -16.6 2 6 0 99 203.223 1 ↓
Mid Mid (pH 6-8) -1.23 -4.43 -59.15 3 6 1 101 204.231 1 ↓

Analogs

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Popular Name: (3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,1-dioxo-thiolan-3-amine (3R)-3-(5-methyl-1,2,4-oxadiazol…

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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) -1.01 -4.03 -15.27 2 6 0 99 217.25 1 ↓
Mid Mid (pH 6-8) -1.01 -3.79 -62.12 3 6 1 101 218.258 1 ↓

Analogs

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Popular Name: (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,1-dioxo-thiolan-3-amine (3S)-3-(5-methyl-1,2,4-oxadiazol…

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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) -1.01 -3.97 -16.04 2 6 0 99 217.25 1 ↓
Mid Mid (pH 6-8) -1.01 -3.68 -57.76 3 6 1 101 218.258 1 ↓

Analogs

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Popular Name: (3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,1-dioxo-thiolan-3-amine (3R)-3-(5-ethyl-1,2,4-oxadiazol-…

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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) -0.44 -3.27 -14.65 2 6 0 99 231.277 2 ↓
Mid Mid (pH 6-8) -0.44 -3.04 -61.8 3 6 1 101 232.285 2 ↓

Analogs

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Popular Name: (3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,1-dioxo-thiolan-3-amine (3S)-3-(5-ethyl-1,2,4-oxadiazol-…

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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) -0.44 -3.21 -15.34 2 6 0 99 231.277 2 ↓
Mid Mid (pH 6-8) -0.44 -2.93 -57.23 3 6 1 101 232.285 2 ↓

Analogs

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Popular Name: (3R)-1,1-dioxo-3-(5-propyl-1,2,4-oxadiazol-3-yl)thiolan-3-amine (3R)-1,1-dioxo-3-(5-propyl-1,2,4…

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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) 0.06 -2.51 -14.23 2 6 0 99 245.304 3 ↓
Mid Mid (pH 6-8) 0.06 -2.27 -61.73 3 6 1 101 246.312 3 ↓

Analogs

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Popular Name: (3S)-1,1-dioxo-3-(5-propyl-1,2,4-oxadiazol-3-yl)thiolan-3-amine (3S)-1,1-dioxo-3-(5-propyl-1,2,4…

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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) 0.06 -2.45 -14.92 2 6 0 99 245.304 3 ↓
Mid Mid (pH 6-8) 0.06 -2.16 -57.21 3 6 1 101 246.312 3 ↓

Analogs

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Popular Name: (3R)-3-(5-isopropyl-1,2,4-oxadiazol-3-yl)-1,1-dioxo-thiolan-3-amine (3R)-3-(5-isopropyl-1,2,4-oxadia…

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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) 0.05 -2.67 -14.22 2 6 0 99 245.304 2 ↓
Mid Mid (pH 6-8) 0.05 -2.43 -61.32 3 6 1 101 246.312 2 ↓

Analogs

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Popular Name: (3S)-3-(5-isopropyl-1,2,4-oxadiazol-3-yl)-1,1-dioxo-thiolan-3-amine (3S)-3-(5-isopropyl-1,2,4-oxadia…

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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) 0.05 -2.61 -14.87 2 6 0 99 245.304 2 ↓
Mid Mid (pH 6-8) 0.05 -2.32 -57.07 3 6 1 101 246.312 2 ↓

Analogs

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Popular Name: (3R)-3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1,1-dioxo-thiolan-3-amine (3R)-3-(5-tert-butyl-1,2,4-oxadi…

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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) 0.71 -2.15 -14.07 2 6 0 99 259.331 2 ↓
Mid Mid (pH 6-8) 0.71 -1.91 -61.33 3 6 1 101 260.339 2 ↓

Analogs

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Popular Name: (3S)-3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1,1-dioxo-thiolan-3-amine (3S)-3-(5-tert-butyl-1,2,4-oxadi…

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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) 0.71 -2.09 -14.75 2 6 0 99 259.331 2 ↓
Mid Mid (pH 6-8) 0.71 -1.8 -56.95 3 6 1 101 260.339 2 ↓

Analogs

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Popular Name: (3R)-1,1-dioxo-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine (3R)-1,1-dioxo-3-[5-(trifluorome…

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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) -0.10 -3.61 -10.57 2 6 0 99 271.22 2 ↓
Mid Mid (pH 6-8) -0.10 -3.37 -54.38 3 6 1 101 272.228 2 ↓

Analogs

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Popular Name: (3S)-1,1-dioxo-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine (3S)-1,1-dioxo-3-[5-(trifluorome…

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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) -0.10 -3.56 -11.6 2 6 0 99 271.22 2 ↓
Mid Mid (pH 6-8) -0.10 -3.29 -64.91 3 6 1 101 272.228 2 ↓

Parameters Provided:

ring.id = 321361
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 = 321361 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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