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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: N-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]-2-ethyl-hexan-1-amine N-[[1-(4,6-dimethylpyrimidin-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) 4.66 2.55 -34.06 2 4 1 47 315.485 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]-2-ethyl-hexan-1-amine N-[[1-(4,6-dimethylpyrimidin-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) 4.66 2.12 -36.26 2 4 1 47 315.485 9 ↓

Analogs

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Popular Name: 6-methyl-2-(1H-pyrrol-1-yl)-4-pyrimidinol 6-methyl-2-(1H-pyrrol-1-yl)-4-py…

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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) 1.36 3.69 -8.86 1 4 0 51 175.191 1 ↓

Analogs

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Popular Name: 5-chloro-2-(1H-pyrrol-1-yl)pyrimidine 5-chloro-2-(1H-pyrrol-1-yl)pyrim…

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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) 1.84 7.66 -5.21 0 3 0 31 179.61 1 ↓

Analogs

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Popular Name: (2,5-dimethyl-1-pyrimidin-2-yl-pyrrol-3-yl)methanamine (2,5-dimethyl-1-pyrimidin-2-yl-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) 0.35 7.28 -45.73 3 4 1 58 203.269 2 ↓
Hi High (pH 8-9.5) 0.35 6.88 -9.19 2 4 0 57 202.261 2 ↓

Analogs

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Popular Name: [2,5-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrol-3-yl]methanamine [2,5-dimethyl-1-(4-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) 0.79 7.82 -45.25 3 4 1 58 217.296 2 ↓
Hi High (pH 8-9.5) 0.79 7.42 -9.03 2 4 0 57 216.288 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(4,6-dimethylpyrimidin-2-yl)-2,5-dimethyl-pyrrol-3-yl]methanamine [1-(4,6-dimethylpyrimidin-2-yl)-…

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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) 1.23 8.4 -45.14 3 4 1 58 231.323 2 ↓
Hi High (pH 8-9.5) 1.23 8 -8.81 2 4 0 57 230.315 2 ↓

Analogs

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Popular Name: (2S)-N,N-dimethyl-2-[methyl-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]amino]propanamide (2S)-N,N-dimethyl-2-[methyl-[(1-…

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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) 0.08 9.91 -36.57 1 6 1 55 288.375 5 ↓
Mid Mid (pH 6-8) 0.08 7.56 -15.41 0 6 0 54 287.367 5 ↓

Analogs

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Popular Name: (2R)-N,N-dimethyl-2-[methyl-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]amino]propanamide (2R)-N,N-dimethyl-2-[methyl-[(1-…

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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) 0.08 10.09 -37.36 1 6 1 55 288.375 5 ↓
Mid Mid (pH 6-8) 0.08 7.77 -14.79 0 6 0 54 287.367 5 ↓

Parameters Provided:

ring.id = 3203
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 = 3203 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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