UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(2S)-3-(4-aminopyrazol-1-yl)-2-hydroxy-propyl]-N-methyl-piperidine-4-carboxamide 1-[(2S)-3-(4-aminopyrazol-1-yl)-…

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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 0.12 -51.35 5 7 1 98 282.368 5 ↓

Analogs

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Popular Name: 1-[(2R)-3-(4-aminopyrazol-1-yl)-2-hydroxy-propyl]-N-methyl-piperidine-4-carboxamide 1-[(2R)-3-(4-aminopyrazol-1-yl)-…

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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 -0.11 -52.82 5 7 1 98 282.368 5 ↓

Analogs

51857852
51857852
51857853
51857853

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Popular Name: (2S)-1-(4-aminopyrazol-1-yl)-3-[(2R)-2-ethyl-1-piperidyl]propan-2-ol (2S)-1-(4-aminopyrazol-1-yl)-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) 0.96 3.01 -37.8 4 5 1 69 253.37 5 ↓

Analogs

51857852
51857852
51857853
51857853

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-aminopyrazol-1-yl)-3-[(2S)-2-ethyl-1-piperidyl]propan-2-ol (2S)-1-(4-aminopyrazol-1-yl)-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) 0.96 3.34 -37.64 4 5 1 69 253.37 5 ↓

Analogs

42446181
42446181
42446183
42446183

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Popular Name: (2S)-1-(4-aminopyrazol-1-yl)-3-(4-ethyl-4-methyl-1-piperidyl)propan-2-ol (2S)-1-(4-aminopyrazol-1-yl)-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) 1.08 3.35 -41.05 4 5 1 69 267.397 5 ↓

Analogs

42446181
42446181
42446183
42446183

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4-aminopyrazol-1-yl)-3-(4-ethyl-4-methyl-1-piperidyl)propan-2-ol (2R)-1-(4-aminopyrazol-1-yl)-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) 1.08 3.17 -41.02 4 5 1 69 267.397 5 ↓

Analogs

42446181
42446181
42446183
42446183

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Popular Name: (2S)-1-(4-aminopyrazol-1-yl)-3-(4,4-diethyl-1-piperidyl)propan-2-ol (2S)-1-(4-aminopyrazol-1-yl)-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) 1.41 3.81 -41.61 4 5 1 69 281.424 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4-aminopyrazol-1-yl)-3-(4,4-diethyl-1-piperidyl)propan-2-ol (2R)-1-(4-aminopyrazol-1-yl)-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) 1.41 3.65 -41.65 4 5 1 69 281.424 6 ↓

Analogs

42432088
42432088

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Popular Name: (2R)-1-(4-aminopyrazol-1-yl)-3-[(2R)-2-(hydroxymethyl)-1-piperidyl]propan-2-ol (2R)-1-(4-aminopyrazol-1-yl)-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) -0.55 -0.98 -38.29 5 6 1 89 255.342 5 ↓

Analogs

42432087
42432087

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Popular Name: (2S)-1-(4-aminopyrazol-1-yl)-3-[(2R)-2-(hydroxymethyl)-1-piperidyl]propan-2-ol (2S)-1-(4-aminopyrazol-1-yl)-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) -0.55 -0.46 -38.08 5 6 1 89 255.342 5 ↓

Analogs

42446183
42446183
61818238
61818238
61818239
61818239
62951229
62951229
62951230
62951230

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Popular Name: (2S)-1-(4-aminopyrazol-1-yl)-3-(4-ethyl-1-piperidyl)propan-2-ol (2S)-1-(4-aminopyrazol-1-yl)-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) 1.02 3.21 -40.78 4 5 1 69 253.37 5 ↓

Analogs

61818238
61818238
61818239
61818239
62951229
62951229
62951230
62951230
62951634
62951634

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Popular Name: (2R)-1-(4-aminopyrazol-1-yl)-3-(4-ethyl-1-piperidyl)propan-2-ol (2R)-1-(4-aminopyrazol-1-yl)-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) 1.02 2.99 -40.71 4 5 1 69 253.37 5 ↓

Parameters Provided:

ring.id = 62383
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 = 62383 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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