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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 2-chloro-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-6-methyl-pyrimidin-4-amine 2-chloro-N-[[(3S)-1,1-dioxothiol…

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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) 1.33 2.15 -18.07 1 5 0 72 275.761 3 ↓

Analogs

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Popular Name: 2-chloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-methyl-pyrimidin-4-amine 2-chloro-N-[[(3R)-1,1-dioxothiol…

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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) 1.33 2.13 -17.91 1 5 0 72 275.761 3 ↓

Analogs

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Popular Name: 6-chloro-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-methyl-pyrimidin-4-amine 6-chloro-N-[[(3S)-1,1-dioxothiol…

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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) 1.00 2.12 -16.45 1 5 0 72 275.761 3 ↓

Analogs

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Popular Name: 6-chloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-methyl-pyrimidin-4-amine 6-chloro-N-[[(3R)-1,1-dioxothiol…

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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) 1.00 2.11 -16.52 1 5 0 72 275.761 3 ↓

Analogs

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Popular Name: N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-methyl-pyrimidin-4-amine N-[[(3S)-1,1-dioxothiolan-3-yl]m…

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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) -0.02 1.7 -16.68 1 5 0 72 241.316 3 ↓
Mid Mid (pH 6-8) -0.02 2.14 -46.19 2 5 1 73 242.324 3 ↓

Analogs

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Popular Name: N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-methyl-pyrimidin-4-amine N-[[(3R)-1,1-dioxothiolan-3-yl]m…

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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) -0.02 1.69 -16.64 1 5 0 72 241.316 3 ↓
Mid Mid (pH 6-8) -0.02 2.13 -45.76 2 5 1 73 242.324 3 ↓

Analogs

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Popular Name: 6-(aminomethyl)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-methyl-pyrimidin-4-amine 6-(aminomethyl)-N-[[(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) -0.38 -0.34 -60.61 4 6 1 100 271.366 4 ↓
Mid Mid (pH 6-8) -0.38 -0.74 -17.7 3 6 0 98 270.358 4 ↓
Mid Mid (pH 6-8) -0.38 -0.35 -42.54 4 6 1 99 271.366 4 ↓

Analogs

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Popular Name: 6-(aminomethyl)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-methyl-pyrimidin-4-amine 6-(aminomethyl)-N-[[(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) -0.38 -0.35 -59.85 4 6 1 100 271.366 4 ↓
Mid Mid (pH 6-8) -0.38 -0.75 -17.6 3 6 0 98 270.358 4 ↓
Mid Mid (pH 6-8) -0.38 -0.36 -42.1 4 6 1 99 271.366 4 ↓

Analogs

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Popular Name: 6-(2-aminoethyl)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-methyl-pyrimidin-4-amine 6-(2-aminoethyl)-N-[[(3S)-1,1-di…

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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) -0.58 0.48 -60.27 4 6 1 100 285.393 5 ↓
Lo Low (pH 4.5-6) -0.58 0.82 -122.55 5 6 2 101 286.401 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-aminoethyl)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-methyl-pyrimidin-4-amine 6-(2-aminoethyl)-N-[[(3R)-1,1-di…

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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) -0.58 0.46 -59.59 4 6 1 100 285.393 5 ↓
Lo Low (pH 4.5-6) -0.58 0.81 -121.45 5 6 2 101 286.401 5 ↓

Parameters Provided:

ring.id = 23503
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 = 23503 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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