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Analogs

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Popular Name: N-[(2S)-2-dimethylamino-2-(2-methoxyphenyl)ethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)pr N-[(2S)-2-dimethylamino-2-(2-met…

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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) 2.81 10.44 -53.35 2 7 1 73 410.542 8 ↓
Hi High (pH 8-9.5) 2.81 8.78 -14.53 1 7 0 72 409.534 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-dimethylamino-2-(2-methoxyphenyl)ethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)pr N-[(2R)-2-dimethylamino-2-(2-met…

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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) 2.81 10.08 -54.46 2 7 1 73 410.542 8 ↓
Hi High (pH 8-9.5) 2.81 8.07 -15.79 1 7 0 72 409.534 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-dimethylamino-2-(3-methoxyphenyl)ethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)pr N-[(2S)-2-dimethylamino-2-(3-met…

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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 -59.68 2 7 1 73 410.542 8 ↓
Hi High (pH 8-9.5) 2.83 7.49 -15.43 1 7 0 72 409.534 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-dimethylamino-2-(3-methoxyphenyl)ethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)pr N-[(2R)-2-dimethylamino-2-(3-met…

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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 9.84 -52.55 2 7 1 73 410.542 8 ↓
Hi High (pH 8-9.5) 2.83 7.74 -14.72 1 7 0 72 409.534 8 ↓

Analogs

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Popular Name: 3-(3-cyano-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2,4-dimethylphenyl)ethyl]propanamide 3-(3-cyano-5,7-dimethyl-pyrazolo…

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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) 3.28 10.3 -17.36 1 6 0 83 375.476 6 ↓

Parameters Provided:

ring.id = 101371
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 = 101371 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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