UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37304895
37304895
37304896
37304896
42229421
42229421
42229425
42229425
37024057
37024057

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (4R)-1-methyl-N-[(1,3,5-trimethy…

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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) 0.19 6.17 -46.1 2 5 1 52 274.392 3 ↓
Hi High (pH 8-9.5) 0.19 4.72 -10.19 1 5 0 48 273.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (4S)-1-methyl-N-[(1,3,5-trimethy…

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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) 0.19 6.15 -46.08 2 5 1 52 274.392 3 ↓
Hi High (pH 8-9.5) 0.19 4.7 -10.5 1 5 0 48 273.384 3 ↓

Analogs

37304895
37304895
37304896
37304896
42229421
42229421
42229425
42229425
37024059
37024059

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (4R)-1-methyl-N-[(1-methylpyrazo…

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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) -0.25 5.25 -45.95 2 5 1 52 246.338 3 ↓
Hi High (pH 8-9.5) -0.25 3.86 -9.44 1 5 0 48 245.33 3 ↓

Analogs

37304895
37304895
37304896
37304896
42229421
42229421
42229425
42229425
37024059
37024059

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (4S)-1-methyl-N-[(1-methylpyrazo…

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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) -0.25 5.23 -45.86 2 5 1 52 246.338 3 ↓
Hi High (pH 8-9.5) -0.25 3.84 -11.42 1 5 0 48 245.33 3 ↓

Analogs

37304895
37304895
37304896
37304896
42229421
42229421
42229425
42229425
37024059
37024059

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4R)-N-[(3,5-dimethyl-1H-pyrazol…

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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) 0.13 4.96 -45.95 3 5 1 63 260.365 3 ↓
Hi High (pH 8-9.5) 0.13 3.51 -8.71 2 5 0 59 259.357 3 ↓

Analogs

37304895
37304895
37304896
37304896
42229421
42229421
42229425
42229425
37024059
37024059

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4S)-N-[(3,5-dimethyl-1H-pyrazol…

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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) 0.13 4.94 -45.91 3 5 1 63 260.365 3 ↓
Hi High (pH 8-9.5) 0.13 3.5 -10.61 2 5 0 59 259.357 3 ↓

Analogs

37051928
37051928
37051927
37051927
37051926
37051926
37051925
37051925
37051924
37051924

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4R)-N-[(1-tert-butylpyrazol-4-y…

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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) 0.94 7.26 -44.9 2 5 1 52 288.419 4 ↓
Hi High (pH 8-9.5) 0.94 5.87 -8.61 1 5 0 48 287.411 4 ↓

Analogs

37051928
37051928
37051927
37051927
37051926
37051926
37051925
37051925
37051924
37051924

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4S)-N-[(1-tert-butylpyrazol-4-y…

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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) 0.94 7.25 -44.78 2 5 1 52 288.419 4 ↓
Hi High (pH 8-9.5) 0.94 5.86 -10.69 1 5 0 48 287.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4R)-N-[(3-isopropyl-1-methyl-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) 1.03 7.08 -46.71 2 5 1 52 288.419 4 ↓
Hi High (pH 8-9.5) 1.03 5.62 -9.33 1 5 0 48 287.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4S)-N-[(3-isopropyl-1-methyl-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) 1.03 7.07 -46.72 2 5 1 52 288.419 4 ↓
Hi High (pH 8-9.5) 1.03 5.68 -10.33 1 5 0 48 287.411 4 ↓

Parameters Provided:

ring.id = 141673
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 = 141673 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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