UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 7-[(1S)-2-cyclopropyl-1-methyl-ethyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1S)-2-cyclopropyl-1-methyl-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) 2.33 8.83 -8.23 2 4 0 57 244.342 3 ↓
Lo Low (pH 4.5-6) 2.33 9.23 -26.47 3 4 1 58 245.35 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(1R)-2-cyclopropyl-1-methyl-ethyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1R)-2-cyclopropyl-1-methyl-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) 2.33 8.83 -8.22 2 4 0 57 244.342 3 ↓
Lo Low (pH 4.5-6) 2.33 9.23 -26.5 3 4 1 58 245.35 3 ↓

Analogs

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Popular Name: 7-[(1S)-2-cyclopropyl-1-methyl-ethyl]-2,5,6-trimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1S)-2-cyclopropyl-1-methyl-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) 2.42 8.83 -8.88 2 4 0 57 258.369 3 ↓
Mid Mid (pH 6-8) 2.42 9.21 -23.59 3 4 1 58 259.377 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(1R)-2-cyclopropyl-1-methyl-ethyl]-2,5,6-trimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1R)-2-cyclopropyl-1-methyl-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) 2.42 8.79 -8.79 2 4 0 57 258.369 3 ↓
Mid Mid (pH 6-8) 2.42 9.16 -23.56 3 4 1 58 259.377 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(1S)-1-(cyclopropylmethyl)propyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1S)-1-(cyclopropylmethyl)pro…

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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) 2.83 9.99 -8.01 2 4 0 57 258.369 4 ↓
Lo Low (pH 4.5-6) 2.83 10.4 -26.53 3 4 1 58 259.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(1R)-1-(cyclopropylmethyl)propyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1R)-1-(cyclopropylmethyl)pro…

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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) 2.83 9.77 -8.05 2 4 0 57 258.369 4 ↓
Lo Low (pH 4.5-6) 2.83 10.17 -26.39 3 4 1 58 259.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(1S)-1-(cyclopropylmethyl)propyl]-2,5,6-trimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1S)-1-(cyclopropylmethyl)pro…

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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) 2.92 9.96 -8.6 2 4 0 57 272.396 4 ↓
Mid Mid (pH 6-8) 2.92 9.83 -23.91 3 4 1 58 273.404 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(1R)-1-(cyclopropylmethyl)propyl]-2,5,6-trimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1R)-1-(cyclopropylmethyl)pro…

Find On: PubMed — Wikipedia — Google

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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) 2.92 9.76 -8.71 2 4 0 57 272.396 4 ↓
Mid Mid (pH 6-8) 2.92 10.12 -23.49 3 4 1 58 273.404 4 ↓

Parameters Provided:

ring.id = 522568
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 = 522568 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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