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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: 4-amino-2-[(5-amino-3-methyl-2-pyridyl)sulfanyl]-1H-pyrimidin-6-one 4-amino-2-[(5-amino-3-methyl-2-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) 1.03 1.17 -13.22 5 6 0 111 249.299 2 ↓
Hi High (pH 8-9.5) 1.49 -0.52 -57.29 4 6 -1 114 248.291 2 ↓
Lo Low (pH 4.5-6) 1.03 0.51 -42.44 6 6 1 112 250.307 2 ↓

Analogs

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Popular Name: 2-[(6-chloro-3-nitro-2-pyridyl)sulfanyl]-6-propyl-1H-pyrimidin-4-one 2-[(6-chloro-3-nitro-2-pyridyl)s…

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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) 3.62 7.05 -10.87 1 7 0 104 326.765 5 ↓
Hi High (pH 8-9.5) 4.08 5.41 -49.56 0 7 -1 108 325.757 5 ↓
Mid Mid (pH 6-8) 3.62 6.73 -19.09 1 7 0 104 326.765 5 ↓

Analogs

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Popular Name: 2-[(6-chloro-3-nitro-2-pyridyl)sulfanyl]-6-methyl-1H-pyrimidin-4-one 2-[(6-chloro-3-nitro-2-pyridyl)s…

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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) 2.55 5.54 -11.4 1 7 0 104 298.711 3 ↓
Hi High (pH 8-9.5) 3.00 3.85 -49.64 0 7 -1 108 297.703 3 ↓
Mid Mid (pH 6-8) 2.55 5.21 -20.49 1 7 0 104 298.711 3 ↓

Analogs

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Popular Name: 2-[(5-amino-6-ethoxy-2-pyridyl)sulfanyl]-6-propyl-1H-pyrimidin-4-one 2-[(5-amino-6-ethoxy-2-pyridyl)s…

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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) 2.90 2.7 -11.03 3 6 0 94 306.391 6 ↓
Hi High (pH 8-9.5) 3.36 2.68 -49.66 2 6 -1 97 305.383 6 ↓
Mid Mid (pH 6-8) 2.90 3.74 -18.82 3 6 0 94 306.391 6 ↓

Analogs

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Popular Name: 2-[(5-amino-6-methoxy-2-pyridyl)sulfanyl]-6-propyl-1H-pyrimidin-4-one 2-[(5-amino-6-methoxy-2-pyridyl)…

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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) 2.52 1.75 -11.22 3 6 0 94 292.364 5 ↓
Hi High (pH 8-9.5) 2.98 1.78 -49.38 2 6 -1 97 291.356 5 ↓
Mid Mid (pH 6-8) 2.52 2.84 -19.06 3 6 0 94 292.364 5 ↓

Analogs

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Popular Name: 2-[(5-amino-6-tert-butoxy-2-pyridyl)sulfanyl]-6-methyl-1H-pyrimidin-4-one 2-[(5-amino-6-tert-butoxy-2-pyri…

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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) 2.63 3.95 -10.42 3 6 0 94 306.391 4 ↓
Hi High (pH 8-9.5) 3.09 2.33 -51.09 2 6 -1 97 305.383 4 ↓
Mid Mid (pH 6-8) 2.63 3.71 -21.45 3 6 0 94 306.391 4 ↓

Analogs

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Popular Name: 2-[(5-amino-6-isobutoxy-2-pyridyl)sulfanyl]-6-methyl-1H-pyrimidin-4-one 2-[(5-amino-6-isobutoxy-2-pyridy…

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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) 2.57 2.65 -11.32 3 6 0 94 306.391 5 ↓
Hi High (pH 8-9.5) 3.03 2.81 -48.33 2 6 -1 97 305.383 5 ↓
Mid Mid (pH 6-8) 2.57 3.7 -18.51 3 6 0 94 306.391 5 ↓

Analogs

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Popular Name: 2-[(5-amino-6-propoxy-2-pyridyl)sulfanyl]-6-methyl-1H-pyrimidin-4-one 2-[(5-amino-6-propoxy-2-pyridyl)…

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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) 2.33 2.08 -11.47 3 6 0 94 292.364 5 ↓
Hi High (pH 8-9.5) 2.78 2.13 -47.89 2 6 -1 97 291.356 5 ↓
Mid Mid (pH 6-8) 2.33 3.03 -18.7 3 6 0 94 292.364 5 ↓

Analogs

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Popular Name: 2-[(5-amino-6-isopropoxy-2-pyridyl)sulfanyl]-6-methyl-1H-pyrimidin-4-one 2-[(5-amino-6-isopropoxy-2-pyrid…

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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) 2.19 2.15 -11.27 3 6 0 94 292.364 4 ↓
Hi High (pH 8-9.5) 2.65 2.15 -45.13 2 6 -1 97 291.356 4 ↓
Mid Mid (pH 6-8) 2.19 3.16 -17.7 3 6 0 94 292.364 4 ↓

Analogs

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Popular Name: 2-[(5-amino-6-ethoxy-2-pyridyl)sulfanyl]-6-methyl-1H-pyrimidin-4-one 2-[(5-amino-6-ethoxy-2-pyridyl)s…

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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) 1.83 1.29 -11.57 3 6 0 94 278.337 4 ↓
Hi High (pH 8-9.5) 2.28 1.11 -49.61 2 6 -1 97 277.329 4 ↓
Mid Mid (pH 6-8) 1.82 2.23 -20.11 3 6 0 94 278.337 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-amino-6-methoxy-2-pyridyl)sulfanyl]-6-methyl-1H-pyrimidin-4-one 2-[(5-amino-6-methoxy-2-pyridyl)…

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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 0.22 -11.79 3 6 0 94 264.31 3 ↓
Hi High (pH 8-9.5) 1.91 0.21 -49.41 2 6 -1 97 263.302 3 ↓
Mid Mid (pH 6-8) 1.45 1.32 -20.35 3 6 0 94 264.31 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-amino-6-tert-butoxy-2-pyridyl)sulfanyl]pyrimidin-4-ol 2-[(5-amino-6-tert-butoxy-2-pyri…

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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) 2.19 3.42 -10.24 3 6 0 94 292.364 4 ↓
Mid Mid (pH 6-8) 2.65 1.87 -50.07 2 6 -1 97 291.356 4 ↓
Mid Mid (pH 6-8) 2.19 3.17 -22.86 3 6 0 94 292.364 4 ↓

Analogs

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Popular Name: 2-[(5-amino-6-isobutoxy-2-pyridyl)sulfanyl]pyrimidin-4-ol 2-[(5-amino-6-isobutoxy-2-pyridy…

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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) 2.13 3.18 -10.58 3 6 0 94 292.364 5 ↓
Mid Mid (pH 6-8) 2.59 2.2 -46.5 2 6 -1 97 291.356 5 ↓
Mid Mid (pH 6-8) 2.13 3.12 -19.62 3 6 0 94 292.364 5 ↓

Analogs

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Popular Name: 2-[(5-amino-6-propoxy-2-pyridyl)sulfanyl]pyrimidin-4-ol 2-[(5-amino-6-propoxy-2-pyridyl)…

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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) 1.89 2.49 -10.79 3 6 0 94 278.337 5 ↓
Mid Mid (pH 6-8) 2.35 1.52 -46.06 2 6 -1 97 277.329 5 ↓
Mid Mid (pH 6-8) 1.89 2.44 -19.78 3 6 0 94 278.337 5 ↓

Analogs

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Popular Name: 2-[(5-amino-6-isopropoxy-2-pyridyl)sulfanyl]pyrimidin-4-ol 2-[(5-amino-6-isopropoxy-2-pyrid…

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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) 1.75 2.5 -10.74 3 6 0 94 278.337 4 ↓
Mid Mid (pH 6-8) 2.21 1.55 -43.35 2 6 -1 97 277.329 4 ↓
Mid Mid (pH 6-8) 1.75 2.59 -18.85 3 6 0 94 278.337 4 ↓

Analogs

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Popular Name: 2-[(5-amino-6-ethoxy-2-pyridyl)sulfanyl]pyrimidin-4-ol 2-[(5-amino-6-ethoxy-2-pyridyl)s…

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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) 1.39 1.7 -11.12 3 6 0 94 264.31 4 ↓
Mid Mid (pH 6-8) 1.84 0.5 -47.73 2 6 -1 97 263.302 4 ↓
Mid Mid (pH 6-8) 1.38 1.64 -21.27 3 6 0 94 264.31 4 ↓

Analogs

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Popular Name: 2-[(5-amino-6-methoxy-2-pyridyl)sulfanyl]pyrimidin-4-ol 2-[(5-amino-6-methoxy-2-pyridyl)…

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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 0.79 -11.27 3 6 0 94 250.283 3 ↓
Mid Mid (pH 6-8) 1.47 -0.41 -47.5 2 6 -1 97 249.275 3 ↓
Mid Mid (pH 6-8) 1.01 0.74 -21.56 3 6 0 94 250.283 3 ↓

Analogs

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Popular Name: 5-amino-2-(4-hydroxypyrimidin-2-yl)sulfanyl-pyridine-3-carboxamide 5-amino-2-(4-hydroxypyrimidin-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) -0.42 -1.36 -16.81 5 7 0 128 263.282 3 ↓
Mid Mid (pH 6-8) 0.03 -3.06 -60.42 4 7 -1 131 262.274 3 ↓

Analogs

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Popular Name: 5-amino-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxamide 5-amino-2-[(4-amino-6-oxo-1H-pyr…

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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) -0.60 -2.61 -18.8 7 8 0 154 278.297 3 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 23135 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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