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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3R)-1,1-dioxo-N-(2-pyrimidin-2-ylsulfanylethyl)thiolan-3-amine (3R)-1,1-dioxo-N-(2-pyrimidin-2-…

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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) 0.57 1.76 -64.84 2 5 1 77 274.391 5 ↓
Mid Mid (pH 6-8) 0.57 0.58 -16.28 1 5 0 72 273.383 5 ↓

Analogs

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Popular Name: (3S)-1,1-dioxo-N-(2-pyrimidin-2-ylsulfanylethyl)thiolan-3-amine (3S)-1,1-dioxo-N-(2-pyrimidin-2-…

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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) 0.57 1.77 -64.98 2 5 1 77 274.391 5 ↓
Mid Mid (pH 6-8) 0.57 0.62 -16.99 1 5 0 72 273.383 5 ↓

Analogs

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Popular Name: (3R)-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(4-methylpyrimidin-2-y…

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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 2.36 -64.85 2 5 1 77 288.418 5 ↓
Mid Mid (pH 6-8) 1.01 1.19 -16.36 1 5 0 72 287.41 5 ↓

Analogs

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Popular Name: (3S)-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(4-methylpyrimidin-2-y…

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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 2.37 -65.04 2 5 1 77 288.418 5 ↓
Mid Mid (pH 6-8) 1.01 1.22 -17.04 1 5 0 72 287.41 5 ↓

Analogs

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Popular Name: (3R)-N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(4,6-dimethylpyrimidin…

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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) 1.45 2.97 -64.8 2 5 1 77 302.445 5 ↓
Mid Mid (pH 6-8) 1.45 1.79 -16.42 1 5 0 72 301.437 5 ↓

Analogs

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Popular Name: (3S)-N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(4,6-dimethylpyrimidin…

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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) 1.45 2.98 -64.94 2 5 1 77 302.445 5 ↓
Mid Mid (pH 6-8) 1.45 1.83 -17.06 1 5 0 72 301.437 5 ↓

Analogs

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Popular Name: (3R)-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(5-methylpyrimidin-2-y…

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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) 1.06 2.39 -64.42 2 5 1 77 288.418 5 ↓
Mid Mid (pH 6-8) 1.06 1.22 -15.85 1 5 0 72 287.41 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(5-methylpyrimidin-2-y…

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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) 1.06 2.4 -64.58 2 5 1 77 288.418 5 ↓
Mid Mid (pH 6-8) 1.06 1.25 -16.54 1 5 0 72 287.41 5 ↓

Parameters Provided:

ring.id = 97767
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 = 97767 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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