UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2,5-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrole-3-carboxylic 2,5-dimethyl-1-[(5-methylpyrazin…

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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) 1.21 6.61 -60.47 0 5 -1 71 244.274 3 ↓

Analogs

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Popular Name: 2,5-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrole-3-carbaldehyde 2,5-dimethyl-1-[(5-methylpyrazin…

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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) 1.43 5.8 -14.31 0 4 0 48 229.283 3 ↓

Analogs

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Popular Name: 2-chloro-1-[2,5-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrol-3-yl]ethanone 2-chloro-1-[2,5-dimethyl-1-[(5-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) 1.77 7.27 -11.36 0 4 0 48 277.755 4 ↓

Analogs

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Popular Name: (2R)-2-chloro-1-[2,5-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrol-3-yl]propan-1-one (2R)-2-chloro-1-[2,5-dimethyl-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) 2.13 7.67 -9.49 0 4 0 48 291.782 4 ↓

Analogs

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Popular Name: (2S)-2-chloro-1-[2,5-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrol-3-yl]propan-1-one (2S)-2-chloro-1-[2,5-dimethyl-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) 2.13 7.93 -11.08 0 4 0 48 291.782 4 ↓

Analogs

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Popular Name: 2-amino-4,5-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrole-3-carbonitrile 2-amino-4,5-dimethyl-1-[(5-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) 1.16 5.3 -12.35 2 5 0 81 241.298 2 ↓

Analogs

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Popular Name: 1-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carbaldehyde 1-[(5-methylpyrazin-2-yl)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) 1.30 4.55 -12.64 0 4 0 48 201.229 3 ↓

Analogs

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Popular Name: 1-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxylic 1-[(5-methylpyrazin-2-yl)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) 1.08 5.54 -56.82 0 5 -1 71 216.22 3 ↓

Analogs

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Popular Name: 2-[(2,5-dimethylpyrrol-1-yl)methyl]-5-methyl-pyrazine 2-[(2,5-dimethylpyrrol-1-yl)meth…

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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) 1.71 6.06 -7.81 0 3 0 31 201.273 2 ↓

Analogs

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Popular Name: 2-Methyl-5-(1H-pyrrol-1-ylmethyl)pyrazine 2-Methyl-5-(1H-pyrrol-1-ylmethyl…

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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 5 -7.76 0 3 0 31 173.219 2 ↓

Parameters Provided:

ring.id = 210153
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 = 210153 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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