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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

32203600
32203600
32203604
32203604

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholino-ethyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carb N-[(2S)-2-(4-methoxyphenyl)-2-mo…

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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 8.29 -13.41 1 7 0 69 446.551 7 ↓
Lo Low (pH 4.5-6) 3.27 10.23 -45.35 2 7 1 70 447.559 7 ↓

Analogs

32203600
32203600
32203604
32203604

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholino-ethyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carb N-[(2R)-2-(4-methoxyphenyl)-2-mo…

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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 8.59 -14.29 1 7 0 69 446.551 7 ↓
Lo Low (pH 4.5-6) 3.27 10.7 -45.53 2 7 1 70 447.559 7 ↓

Analogs

32203600
32203600
32203604
32203604

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholino-ethyl]-5,6-dihydro-4H-cyclopenta[d]pyraz 1-(4-fluorophenyl)-N-[(2S)-2-(4-…

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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 8.42 -12.6 1 7 0 69 464.541 7 ↓
Lo Low (pH 4.5-6) 3.43 10.35 -45.78 2 7 1 70 465.549 7 ↓

Analogs

32203600
32203600
32203604
32203604

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholino-ethyl]-5,6-dihydro-4H-cyclopenta[d]pyraz 1-(4-fluorophenyl)-N-[(2R)-2-(4-…

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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 8.66 -13.47 1 7 0 69 464.541 7 ↓
Lo Low (pH 4.5-6) 3.43 10.77 -46.28 2 7 1 70 465.549 7 ↓

Analogs

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Popular Name: N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]p N-[(2S)-2-(3,4-dimethoxyphenyl)-…

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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) 3.02 8.23 -14.45 1 8 0 78 494.567 8 ↓
Lo Low (pH 4.5-6) 3.02 10.2 -48.94 2 8 1 79 495.575 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]p N-[(2R)-2-(3,4-dimethoxyphenyl)-…

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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) 3.02 8.28 -14.48 1 8 0 78 494.567 8 ↓
Lo Low (pH 4.5-6) 3.02 10.24 -48.67 2 8 1 79 495.575 8 ↓

Parameters Provided:

ring.id = 103456
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 = 103456 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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