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Analogs

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Popular Name: N-methyl-2-phenyl-N-[[(3S)-3,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl]methyl]-5,6,7,8-tetrahydropyr N-methyl-2-phenyl-N-[[(3S)-3,4,5…

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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) 3.30 8.86 -54.82 2 6 1 70 361.473 4 ↓
Hi High (pH 8-9.5) 3.30 7.53 -14.02 1 6 0 66 360.465 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-phenyl-N-[[(3R)-3,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl]methyl]-5,6,7,8-tetrahydropyr N-methyl-2-phenyl-N-[[(3R)-3,4,5…

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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) 3.30 8.79 -55.35 2 6 1 70 361.473 4 ↓
Hi High (pH 8-9.5) 3.30 7.47 -10.84 1 6 0 66 360.465 4 ↓

Analogs

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Popular Name: (5S)-4-[(E)-(4-methoxyphenyl)methyleneamino]-5-[(3S)-3,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl]-1, (5S)-4-[(E)-(4-methoxyphenyl)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) 2.62 4.57 -57.89 1 7 -1 74 341.42 4 ↓
Mid Mid (pH 6-8) 2.62 4.52 -21.15 2 7 0 76 342.428 4 ↓

Analogs

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Popular Name: N,2-dimethyl-6-[(3R)-3-piperidyl]-N-[[(3S)-3,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl]methyl]pyrimi N,2-dimethyl-6-[(3R)-3-piperidyl…

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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) 1.55 6.68 -44.71 2 6 1 70 327.456 4 ↓
Mid Mid (pH 6-8) 1.55 7.27 -100.08 3 6 2 72 328.464 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,2-dimethyl-6-[(3R)-3-piperidyl]-N-[[(3R)-3,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl]methyl]pyrimi N,2-dimethyl-6-[(3R)-3-piperidyl…

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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) 1.55 6.62 -48.1 2 6 1 70 327.456 4 ↓
Mid Mid (pH 6-8) 1.55 7.21 -96.38 3 6 2 72 328.464 4 ↓

Parameters Provided:

ring.id = 397695
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 = 397695 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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