UCSF
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Analogs

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Popular Name: 2-(4,6-dimethylpyrazolo[4,3-c]pyrazol-2-yl)-N-[(1S)-1-(4-pyridyl)ethyl]acetamide 2-(4,6-dimethylpyrazolo[4,3-c]py…

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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) 0.24 4.35 -21.46 1 7 0 78 298.35 4 ↓
Lo Low (pH 4.5-6) 0.24 4.81 -56.26 2 7 1 79 299.358 4 ↓

Analogs

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Popular Name: 2-(4,6-dimethylpyrazolo[4,3-c]pyrazol-2-yl)-N-[(1R)-1-(4-pyridyl)ethyl]acetamide 2-(4,6-dimethylpyrazolo[4,3-c]py…

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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) 0.24 4.34 -21.96 1 7 0 78 298.35 4 ↓
Lo Low (pH 4.5-6) 0.24 4.8 -55.64 2 7 1 79 299.358 4 ↓

Analogs

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Popular Name: (2S)-2-(4,6-dimethylpyrazolo[4,3-c]pyrazol-2-yl)-N-(2-pyridylmethyl)propanamide (2S)-2-(4,6-dimethylpyrazolo[4,3…

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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) 0.16 3.9 -18.62 1 7 0 78 298.35 4 ↓
Lo Low (pH 4.5-6) 0.16 4.3 -50.58 2 7 1 79 299.358 4 ↓

Analogs

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Popular Name: (2R)-2-(4,6-dimethylpyrazolo[4,3-c]pyrazol-2-yl)-N-(2-pyridylmethyl)propanamide (2R)-2-(4,6-dimethylpyrazolo[4,3…

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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) 0.16 3.9 -17.54 1 7 0 78 298.35 4 ↓
Lo Low (pH 4.5-6) 0.16 4.3 -49.75 2 7 1 79 299.358 4 ↓

Analogs

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Popular Name: (2S)-2-(4,6-dimethylpyrazolo[4,3-c]pyrazol-2-yl)-N-[(4-fluorophenyl)methyl]propanamide (2S)-2-(4,6-dimethylpyrazolo[4,3…

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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) 1.50 5.81 -17.22 1 6 0 65 315.352 4 ↓

Analogs

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Popular Name: (2R)-2-(4,6-dimethylpyrazolo[4,3-c]pyrazol-2-yl)-N-[(4-fluorophenyl)methyl]propanamide (2R)-2-(4,6-dimethylpyrazolo[4,3…

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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) 1.50 5.81 -17.29 1 6 0 65 315.352 4 ↓

Analogs

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Popular Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4,6-dimethylpyrazolo[4,3-c]pyrazol-2-yl)propanamide (2S)-N-(1,3-benzodioxol-5-ylmeth…

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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) 1.22 4.4 -18.82 1 8 0 83 341.371 4 ↓

Analogs

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Popular Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4,6-dimethylpyrazolo[4,3-c]pyrazol-2-yl)propanamide (2R)-N-(1,3-benzodioxol-5-ylmeth…

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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) 1.22 4.4 -19.59 1 8 0 83 341.371 4 ↓

Analogs

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Popular Name: (2S)-2-(4,6-dimethylpyrazolo[4,3-c]pyrazol-2-yl)-1-thiomorpholino-propan-1-one (2S)-2-(4,6-dimethylpyrazolo[4,3…

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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) 0.56 5.48 -10.19 0 6 0 56 293.396 2 ↓

Analogs

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Popular Name: (2R)-2-(4,6-dimethylpyrazolo[4,3-c]pyrazol-2-yl)-1-thiomorpholino-propan-1-one (2R)-2-(4,6-dimethylpyrazolo[4,3…

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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) 0.56 5.43 -16.35 0 6 0 56 293.396 2 ↓

Parameters Provided:

ring.id = 170783
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 = 170783 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=170783&filter.purchasability=annotated

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