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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37800773
37800773
37800774
37800774

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1-methylpyrazol-4-yl)methylamino]-1-pyrrolidin-1-yl-propan-1-one 3-[(1-methylpyrazol-4-yl)methyla…

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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) -0.10 4.59 -50.42 2 5 1 55 237.327 5 ↓
Hi High (pH 8-9.5) -0.10 3.16 -12.41 1 5 0 50 236.319 5 ↓

Analogs

37997237
37997237
37997238
37997238

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Popular Name: 1-pyrrolidin-1-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-one 1-pyrrolidin-1-yl-3-[(1,3,5-trim…

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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) 0.34 5.6 -50.41 2 5 1 55 265.381 5 ↓
Hi High (pH 8-9.5) 0.34 4.17 -12.63 1 5 0 50 264.373 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-yl-propan-1-one 3-[(3,5-dimethyl-1H-pyrazol-4-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) 0.27 4.29 -48.39 3 5 1 66 251.354 5 ↓
Hi High (pH 8-9.5) 0.27 2.92 -11.05 2 5 0 61 250.346 5 ↓

Analogs

37997351
37997351
37997352
37997352

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Popular Name: 3-[(1-tert-butylpyrazol-4-yl)methylamino]-1-pyrrolidin-1-yl-propan-1-one 3-[(1-tert-butylpyrazol-4-yl)met…

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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 6.6 -47.61 2 5 1 55 279.408 6 ↓
Hi High (pH 8-9.5) 1.08 5.25 -10.98 1 5 0 50 278.4 6 ↓

Analogs

37997337
37997337
37997338
37997338

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Popular Name: 3-[(3-isopropyl-1-methyl-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-yl-propan-1-one 3-[(3-isopropyl-1-methyl-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) 1.18 6.42 -49.37 2 5 1 55 279.408 6 ↓
Hi High (pH 8-9.5) 1.18 5.06 -11.13 1 5 0 50 278.4 6 ↓

Parameters Provided:

ring.id = 24992
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 = 24992 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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