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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: 6-chloro-N4-[(3R)-1,1-dioxothian-3-yl]pyrimidine-4,5-diamine 6-chloro-N4-[(3R)-1,1-dioxothian…

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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) 0.21 0.63 -15.57 3 6 0 98 276.749 2 ↓

Analogs

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Popular Name: 6-chloro-N4-[(3S)-1,1-dioxothian-3-yl]pyrimidine-4,5-diamine 6-chloro-N4-[(3S)-1,1-dioxothian…

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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) 0.21 0.62 -15.56 3 6 0 98 276.749 2 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothian-3-yl]-6-isopropyl-pyrimidin-4-amine N-[(3R)-1,1-dioxothian-3-yl]-6-i…

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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) 1.28 3.5 -14.35 1 5 0 72 269.37 3 ↓
Mid Mid (pH 6-8) 1.28 4.16 -39.91 2 5 1 73 270.378 3 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothian-3-yl]-6-isopropyl-pyrimidin-4-amine N-[(3S)-1,1-dioxothian-3-yl]-6-i…

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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) 1.28 3.49 -14.4 1 5 0 72 269.37 3 ↓
Mid Mid (pH 6-8) 1.28 4.15 -39.9 2 5 1 73 270.378 3 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothian-3-yl]-2,6-dimethyl-pyrimidin-4-amine N-[(3R)-1,1-dioxothian-3-yl]-2,6…

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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) 0.31 2.22 -15.04 1 5 0 72 255.343 2 ↓
Mid Mid (pH 6-8) 0.31 2.62 -38.75 2 5 1 73 256.351 2 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothian-3-yl]-2,6-dimethyl-pyrimidin-4-amine N-[(3S)-1,1-dioxothian-3-yl]-2,6…

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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) 0.31 2.21 -15.08 1 5 0 72 255.343 2 ↓
Mid Mid (pH 6-8) 0.31 2.61 -38.77 2 5 1 73 256.351 2 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothian-3-yl]-6-propyl-pyrimidin-4-amine N-[(3R)-1,1-dioxothian-3-yl]-6-p…

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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) 1.30 3.84 -14.17 1 5 0 72 269.37 4 ↓
Mid Mid (pH 6-8) 1.30 4.21 -41.43 2 5 1 73 270.378 4 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothian-3-yl]-6-propyl-pyrimidin-4-amine N-[(3S)-1,1-dioxothian-3-yl]-6-p…

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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) 1.30 3.84 -14.22 1 5 0 72 269.37 4 ↓
Mid Mid (pH 6-8) 1.30 4.21 -41.23 2 5 1 73 270.378 4 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothian-3-yl]-6-ethyl-pyrimidin-4-amine N-[(3R)-1,1-dioxothian-3-yl]-6-e…

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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) 0.80 3.06 -14.38 1 5 0 72 255.343 3 ↓
Mid Mid (pH 6-8) 0.80 3.43 -41.02 2 5 1 73 256.351 3 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothian-3-yl]-6-ethyl-pyrimidin-4-amine N-[(3S)-1,1-dioxothian-3-yl]-6-e…

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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) 0.80 3.06 -14.39 1 5 0 72 255.343 3 ↓
Mid Mid (pH 6-8) 0.80 3.43 -40.86 2 5 1 73 256.351 3 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothian-3-yl]-2-isopropyl-6-methyl-pyrimidin-4-amine N-[(3R)-1,1-dioxothian-3-yl]-2-i…

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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) 1.37 3.41 -14.73 1 5 0 72 283.397 3 ↓
Mid Mid (pH 6-8) 1.37 3.9 -37.14 2 5 1 73 284.405 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothian-3-yl]-2-isopropyl-6-methyl-pyrimidin-4-amine N-[(3S)-1,1-dioxothian-3-yl]-2-i…

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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) 1.37 3.41 -14.75 1 5 0 72 283.397 3 ↓
Mid Mid (pH 6-8) 1.37 3.89 -37.16 2 5 1 73 284.405 3 ↓

Analogs

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Popular Name: 6-chloro-N-[(3R)-1,1-dioxothian-3-yl]-5-nitro-pyrimidin-4-amine 6-chloro-N-[(3R)-1,1-dioxothian-…

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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) 0.69 3.4 -14.64 1 8 0 118 306.731 3 ↓

Analogs

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Popular Name: 6-chloro-N-[(3S)-1,1-dioxothian-3-yl]-5-nitro-pyrimidin-4-amine 6-chloro-N-[(3S)-1,1-dioxothian-…

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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) 0.69 3.4 -14.66 1 8 0 118 306.731 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(3R)-1,1-dioxothian-3-yl]-5-isopropyl-pyrimidin-4-amine 6-chloro-N-[(3R)-1,1-dioxothian-…

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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) 1.77 4.2 -14.46 1 5 0 72 303.815 3 ↓

Analogs

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Popular Name: 6-chloro-N-[(3S)-1,1-dioxothian-3-yl]-5-isopropyl-pyrimidin-4-amine 6-chloro-N-[(3S)-1,1-dioxothian-…

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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) 1.77 4.19 -14.45 1 5 0 72 303.815 3 ↓

Analogs

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Popular Name: 6-chloro-N-[(3R)-1,1-dioxothian-3-yl]-5-methyl-pyrimidin-4-amine 6-chloro-N-[(3R)-1,1-dioxothian-…

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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) 1.18 3.14 -14.99 1 5 0 72 275.761 2 ↓

Analogs

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Popular Name: 6-chloro-N-[(3S)-1,1-dioxothian-3-yl]-5-methyl-pyrimidin-4-amine 6-chloro-N-[(3S)-1,1-dioxothian-…

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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) 1.18 3.15 -15 1 5 0 72 275.761 2 ↓

Analogs

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Popular Name: 6-chloro-N-[(3R)-1,1-dioxothian-3-yl]-2,5-dimethyl-pyrimidin-4-amine 6-chloro-N-[(3R)-1,1-dioxothian-…

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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 3.09 -15.21 1 5 0 72 289.788 2 ↓

Analogs

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Popular Name: 6-chloro-N-[(3S)-1,1-dioxothian-3-yl]-2,5-dimethyl-pyrimidin-4-amine 6-chloro-N-[(3S)-1,1-dioxothian-…

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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 3.09 -15.22 1 5 0 72 289.788 2 ↓

Analogs

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Popular Name: 6-chloro-N-[(3R)-1,1-dioxothian-3-yl]-5-propyl-pyrimidin-4-amine 6-chloro-N-[(3R)-1,1-dioxothian-…

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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) 2.04 4.67 -14.56 1 5 0 72 303.815 4 ↓

Analogs

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Popular Name: 6-chloro-N-[(3S)-1,1-dioxothian-3-yl]-5-propyl-pyrimidin-4-amine 6-chloro-N-[(3S)-1,1-dioxothian-…

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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) 2.04 4.67 -14.57 1 5 0 72 303.815 4 ↓

Analogs

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

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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) 0.89 2.03 -14.44 1 5 0 72 275.761 2 ↓

Analogs

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

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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) 0.89 2.03 -14.43 1 5 0 72 275.761 2 ↓

Analogs

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Popular Name: 6-chloro-N-[(3R)-1,1-dioxothian-3-yl]-5-ethyl-pyrimidin-4-amine 6-chloro-N-[(3R)-1,1-dioxothian-…

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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) 1.65 3.89 -14.72 1 5 0 72 289.788 3 ↓

Analogs

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Popular Name: 6-chloro-N-[(3S)-1,1-dioxothian-3-yl]-5-ethyl-pyrimidin-4-amine 6-chloro-N-[(3S)-1,1-dioxothian-…

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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) 1.65 3.89 -14.79 1 5 0 72 289.788 3 ↓

Analogs

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

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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) 1.22 2.06 -15.68 1 5 0 72 275.761 2 ↓

Analogs

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

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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) 1.22 2.05 -15.6 1 5 0 72 275.761 2 ↓

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filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 289032 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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