UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 3.19 9.71 -8.96 2 4 0 57 286.404 3 ↓
Lo Low (pH 4.5-6) 3.19 9.88 -24.31 3 4 1 58 287.412 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.19 9.96 -8.97 2 4 0 57 286.404 3 ↓
Lo Low (pH 4.5-6) 3.19 10.12 -24.28 3 4 1 58 287.412 3 ↓

Analogs

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

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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) 3.27 9.65 -9.53 2 4 0 57 300.431 3 ↓
Lo Low (pH 4.5-6) 3.27 9.86 -22.27 3 4 1 58 301.439 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.27 9.91 -9.51 2 4 0 57 300.431 3 ↓
Lo Low (pH 4.5-6) 3.27 10.15 -22.28 3 4 1 58 301.439 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dimethyl-7-[(1S)-1-(2-thienyl)butyl]pyrrolo[2,3-d]pyrimidin-4-amine 5,6-dimethyl-7-[(1S)-1-(2-thieny…

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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) 3.74 10.49 -8.89 2 4 0 57 300.431 4 ↓
Lo Low (pH 4.5-6) 3.74 10.66 -24.35 3 4 1 58 301.439 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dimethyl-7-[(1R)-1-(2-thienyl)butyl]pyrrolo[2,3-d]pyrimidin-4-amine 5,6-dimethyl-7-[(1R)-1-(2-thieny…

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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) 3.74 10.73 -8.9 2 4 0 57 300.431 4 ↓
Lo Low (pH 4.5-6) 3.74 10.66 -24.33 3 4 1 58 301.439 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dimethyl-7-[(1R)-2-methyl-1-(2-thienyl)propyl]pyrrolo[2,3-d]pyrimidin-4-amine 5,6-dimethyl-7-[(1R)-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) 3.43 10.56 -8.87 2 4 0 57 300.431 3 ↓
Lo Low (pH 4.5-6) 3.43 10.72 -23.97 3 4 1 58 301.439 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dimethyl-7-[(1S)-2-methyl-1-(2-thienyl)propyl]pyrrolo[2,3-d]pyrimidin-4-amine 5,6-dimethyl-7-[(1S)-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) 3.43 10.56 -8.83 2 4 0 57 300.431 3 ↓
Lo Low (pH 4.5-6) 3.43 10.72 -23.87 3 4 1 58 301.439 3 ↓

Parameters Provided:

ring.id = 580224
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 = 580224 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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