UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20468191
20468191
158910
158910

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Popular Name: 5-[cyclopentyl(methyl)amino]-1,3-dimethyl-pyrazole-4-carbaldehyde 5-[cyclopentyl(methyl)amino]-1,3…

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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) 1.95 6.8 -7.17 0 4 0 38 221.304 3 ↓
Lo Low (pH 4.5-6) 1.95 6.93 -28.65 1 4 1 39 222.312 3 ↓

Analogs

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Popular Name: 5-[cyclopentyl(methyl)amino]-1,3-dimethyl-pyrazole-4-carboxylic 5-[cyclopentyl(methyl)amino]-1,3…

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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) 1.73 8.04 -39.67 1 5 0 62 237.303 3 ↓
Hi High (pH 8-9.5) 1.73 7.92 -52.08 0 5 -1 61 236.295 3 ↓

Analogs

20468191
20468191
20468167
20468167
20468248
20468248

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Popular Name: [5-[cyclopentyl(methyl)amino]-1,3-dimethyl-pyrazol-4-yl]methanol [5-[cyclopentyl(methyl)amino]-1,…

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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 4.45 -25.31 2 4 1 43 224.328 3 ↓
Hi High (pH 8-9.5) 1.50 4.32 -7.09 1 4 0 41 223.32 3 ↓

Analogs

20468191
20468191

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Popular Name: 4-(chloromethyl)-N-cyclopentyl-N,2,5-trimethyl-pyrazol-3-amine 4-(chloromethyl)-N-cyclopentyl-N…

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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) 2.74 8.36 -26.12 1 3 1 22 242.774 3 ↓
Mid Mid (pH 6-8) 2.74 8.23 -4.66 0 3 0 21 241.766 3 ↓

Analogs

20469564
20469564
20468191
20468191

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Popular Name: 4-(aminomethyl)-N-cyclopentyl-N,2,5-trimethyl-pyrazol-3-amine 4-(aminomethyl)-N-cyclopentyl-N,…

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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) 1.35 4.99 -44.63 3 4 1 49 223.344 3 ↓
Hi High (pH 8-9.5) 1.35 4.77 -23.5 3 4 1 48 223.344 3 ↓
Hi High (pH 8-9.5) 1.35 4.64 -4.71 2 4 0 47 222.336 3 ↓

Analogs

35773123
35773123

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Popular Name: (E)-3-[5-[cyclopentyl(methyl)amino]-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic (E)-3-[5-[cyclopentyl(methyl)ami…

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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) 1.95 7.41 -58.73 1 5 0 62 263.341 4 ↓
Hi High (pH 8-9.5) 1.95 7.28 -54.72 0 5 -1 61 262.333 4 ↓

Analogs

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Popular Name: 2-[(4-amino-2,5-dimethyl-pyrazol-3-yl)-cyclopentyl-amino]acetamide 2-[(4-amino-2,5-dimethyl-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) 0.38 1.98 -26.2 5 6 1 91 252.342 4 ↓
Hi High (pH 8-9.5) 0.38 1.85 -9.56 4 6 0 90 251.334 4 ↓

Analogs

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Popular Name: 2-[cyclopentyl-(4-formyl-2,5-dimethyl-pyrazol-3-yl)amino]acetamide 2-[cyclopentyl-(4-formyl-2,5-dim…

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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) 0.68 3.78 -10.86 2 6 0 81 264.329 5 ↓

Analogs

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Popular Name: 5-[(2-amino-2-oxo-ethyl)-cyclopentyl-amino]-1,3-dimethyl-pyrazole-4-carboxylic 5-[(2-amino-2-oxo-ethyl)-cyclope…

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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) 0.47 4.9 -32.2 3 7 0 106 280.328 5 ↓
Hi High (pH 8-9.5) 0.47 4.77 -48.59 2 7 -1 104 279.32 5 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[4-(hydroxymethyl)-2,5-dimethyl-pyrazol-3-yl]amino]acetamide 2-[cyclopentyl-[4-(hydroxymethyl…

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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) 0.23 1.37 -26.55 4 6 1 86 267.353 5 ↓
Hi High (pH 8-9.5) 0.23 1.24 -10.85 3 6 0 84 266.345 5 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[2,5-dimethyl-4-(methylaminomethyl)pyrazol-3-yl]amino]acetamide 2-[cyclopentyl-[2,5-dimethyl-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) 0.45 3.85 -50.57 4 6 1 81 280.396 6 ↓
Hi High (pH 8-9.5) 0.45 2.37 -8.08 3 6 0 76 279.388 6 ↓
Lo Low (pH 4.5-6) 0.45 3.98 -101.82 5 6 2 82 281.404 6 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[4-(ethylaminomethyl)-2,5-dimethyl-pyrazol-3-yl]amino]acetamide 2-[cyclopentyl-[4-(ethylaminomet…

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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) 0.83 4.33 -32.11 4 6 1 81 294.423 7 ↓
Hi High (pH 8-9.5) 0.83 4.14 -7.47 3 6 0 76 293.415 7 ↓
Lo Low (pH 4.5-6) 0.83 4.47 -85.27 5 6 2 82 295.431 7 ↓

Parameters Provided:

ring.id = 144737
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 = 144737 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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