UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-chloro-N-cycloheptyl-N-methyl-pyrimidin-4-amine 6-chloro-N-cycloheptyl-N-methyl-…

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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) 3.67 8.43 -4.25 0 3 0 29 239.75 2 ↓

Analogs

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Popular Name: 2-chloro-N-cycloheptyl-6-methyl-pyrimidin-4-amine 2-chloro-N-cycloheptyl-6-methyl-…

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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) 3.84 6.37 -5.41 1 3 0 38 239.75 2 ↓

Analogs

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Popular Name: 2-chloro-N-cycloheptyl-N,6-dimethyl-pyrimidin-4-amine 2-chloro-N-cycloheptyl-N,6-dimet…

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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) 4.09 8.41 -6.35 0 3 0 29 253.777 2 ↓

Analogs

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Popular Name: 6-chloro-N-cycloheptyl-2-methyl-pyrimidin-4-amine 6-chloro-N-cycloheptyl-2-methyl-…

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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) 3.51 6.33 -3.98 1 3 0 38 239.75 2 ↓

Analogs

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Popular Name: 6-chloro-N-cycloheptyl-N,2-dimethyl-pyrimidin-4-amine 6-chloro-N-cycloheptyl-N,2-dimet…

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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) 3.76 8.37 -4.65 0 3 0 29 253.777 2 ↓

Analogs

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Popular Name: 1-[(2-methylpyrimidin-4-yl)amino]cycloheptanecarboxylic 1-[(2-methylpyrimidin-4-yl)amino…

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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) -0.17 6.3 -45.2 1 5 -1 78 248.306 3 ↓
Mid Mid (pH 6-8) -0.17 6.75 -39.83 2 5 0 79 249.314 3 ↓

Analogs

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Popular Name: N-cycloheptyl-N-(2-methylpyrimidin-4-yl)propane-1,3-diamine N-cycloheptyl-N-(2-methylpyrimid…

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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) 1.81 7.41 -49.7 3 4 1 57 263.409 5 ↓
Mid Mid (pH 6-8) 1.81 7.85 -92.82 4 4 2 58 264.417 5 ↓

Analogs

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Popular Name: N-cycloheptyl-2-methyl-pyrimidin-4-amine N-cycloheptyl-2-methyl-pyrimidin…

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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) 2.49 5.92 -4.74 1 3 0 38 205.305 2 ↓
Mid Mid (pH 6-8) 2.49 6.36 -29.59 2 3 1 39 206.313 2 ↓

Analogs

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Popular Name: N-cycloheptyl-6-hydrazino-5-nitro-pyrimidin-4-amine N-cycloheptyl-6-hydrazino-5-nitr…

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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) 1.88 5.98 -5.47 4 8 0 122 266.305 4 ↓

Analogs

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Popular Name: N6-cycloheptyl-N4-(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine N6-cycloheptyl-N4-(2-methoxyethy…

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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) 2.47 7.19 -6.16 2 8 0 105 309.37 7 ↓

Analogs

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Popular Name: N-cycloheptyl-6-ethoxy-5-nitro-pyrimidin-4-amine N-cycloheptyl-6-ethoxy-5-nitro-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) 3.07 6.68 -6.44 1 7 0 93 280.328 5 ↓

Analogs

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Popular Name: N-cycloheptyl-6-isopropoxy-5-nitro-pyrimidin-4-amine N-cycloheptyl-6-isopropoxy-5-nit…

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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) 3.43 7.59 -6.51 1 7 0 93 294.355 5 ↓

Analogs

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Popular Name: 6-(N'-tert-butylhydrazino)-N-cycloheptyl-5-nitro-pyrimidin-4-amine 6-(N'-tert-butylhydrazino)-N-cyc…

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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) 3.44 9.04 -4.6 3 8 0 108 322.413 6 ↓

Analogs

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Popular Name: N6-cycloheptyl-N4-isopentyl-5-nitro-pyrimidine-4,6-diamine N6-cycloheptyl-N4-isopentyl-5-ni…

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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) 4.14 10.16 -4.38 2 7 0 96 321.425 7 ↓

Analogs

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Popular Name: N6-cycloheptyl-N4-[(1S)-2-methoxy-1-methyl-ethyl]-5-nitro-pyrimidine-4,6-diamine N6-cycloheptyl-N4-[(1S)-2-methox…

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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) 2.80 8.13 -5.71 2 8 0 105 323.397 7 ↓

Analogs

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Popular Name: N6-cycloheptyl-N4-[(1R)-2-methoxy-1-methyl-ethyl]-5-nitro-pyrimidine-4,6-diamine N6-cycloheptyl-N4-[(1R)-2-methox…

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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) 2.80 8.13 -5.68 2 8 0 105 323.397 7 ↓

Analogs

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Popular Name: N6-cycloheptyl-N4-[(1R)-1-methylpropyl]-5-nitro-pyrimidine-4,6-diamine N6-cycloheptyl-N4-[(1R)-1-methyl…

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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) 3.70 9.81 -4.55 2 7 0 96 307.398 6 ↓

Analogs

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Popular Name: N6-cycloheptyl-N4-[(1S)-1-methylpropyl]-5-nitro-pyrimidine-4,6-diamine N6-cycloheptyl-N4-[(1S)-1-methyl…

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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) 3.70 9.81 -4.55 2 7 0 96 307.398 6 ↓

Analogs

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Popular Name: 4-(cycloheptylamino)-6-methylsulfanyl-pyrimidine-5-carbonitrile 4-(cycloheptylamino)-6-methylsul…

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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) 3.03 7.78 -4.93 1 4 0 62 262.382 3 ↓

Analogs

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Popular Name: 6-chloro-N4-cycloheptyl-N4-methyl-pyrimidine-2,4-diamine 6-chloro-N4-cycloheptyl-N4-methy…

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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) 3.47 7.8 -5.01 2 4 0 55 254.765 2 ↓

Analogs

53128380
53128380
53128420
53128420

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Popular Name: 2-chloro-N-cycloheptyl-pyrimidin-4-amine 2-chloro-N-cycloheptyl-pyrimidin…

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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) 3.40 5.74 -5.23 1 3 0 38 225.723 2 ↓

Parameters Provided:

ring.id = 21849
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 = 21849 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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