UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

32611336
32611336
32611335
32611335
32611334
32611334

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Popular Name: (2R)-2-(4-bromopyrazol-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one (2R)-2-(4-bromopyrazol-1-yl)-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) 1.41 4.92 -10.35 0 5 0 47 316.199 2 ↓

Analogs

2775048
2775048
17054868
17054868

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Popular Name: (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one (2S)-1-[(2R,6S)-2,6-dimethylmorp…

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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) 2.03 5.85 -16.54 0 5 0 47 319.327 3 ↓

Analogs

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Popular Name: N,N,3,5-tetramethyl-1-(2-morpholino-2-oxo-ethyl)pyrazole-4-carboxamide N,N,3,5-tetramethyl-1-(2-morphol…

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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 -0.61 -17.4 0 7 0 68 294.355 3 ↓

Analogs

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Popular Name: 3,5-dimethyl-1-(2-morpholino-2-oxo-ethyl)pyrazole-4-carbaldehyde 3,5-dimethyl-1-(2-morpholino-2-o…

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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 3.17 -19.25 0 6 0 64 251.286 3 ↓

Analogs

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Popular Name: 2-[4-(hydroxymethyl)-3,5-dimethyl-pyrazol-1-yl]-1-morpholino-ethanone 2-[4-(hydroxymethyl)-3,5-dimethy…

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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) -0.71 0.62 -18.2 1 6 0 68 253.302 3 ↓

Analogs

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Popular Name: 2-[4-(aminomethyl)-3,5-dimethyl-pyrazol-1-yl]-1-morpholino-ethanone 2-[4-(aminomethyl)-3,5-dimethyl-…

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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) -0.86 1.33 -51.35 3 6 1 75 253.326 3 ↓
Hi High (pH 8-9.5) -0.86 0.93 -15.24 2 6 0 73 252.318 3 ↓

Analogs

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Popular Name: 2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-1-morpholino-ethanone 2-[3,5-dimethyl-4-(methylaminome…

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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) -0.49 3.21 -46.25 2 6 1 64 267.353 4 ↓
Hi High (pH 8-9.5) -0.49 1.75 -14.49 1 6 0 59 266.345 4 ↓

Analogs

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Popular Name: 2-[4-(ethylaminomethyl)-3,5-dimethyl-pyrazol-1-yl]-1-morpholino-ethanone 2-[4-(ethylaminomethyl)-3,5-dime…

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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) -0.11 4.11 -45.39 2 6 1 64 281.38 5 ↓
Hi High (pH 8-9.5) -0.11 2.74 -13.98 1 6 0 59 280.372 5 ↓

Analogs

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Popular Name: 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-1-morpholino-ethanone 2-[3,5-dimethyl-4-(propylaminome…

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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) 0.39 4.86 -46.07 2 6 1 64 295.407 6 ↓
Hi High (pH 8-9.5) 0.39 3.51 -13.84 1 6 0 59 294.399 6 ↓

Analogs

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Popular Name: 2-[4-[(isopropylamino)methyl]-3,5-dimethyl-pyrazol-1-yl]-1-morpholino-ethanone 2-[4-[(isopropylamino)methyl]-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) 0.19 4.59 -43.8 2 6 1 64 295.407 5 ↓
Hi High (pH 8-9.5) 0.19 3.39 -14.07 1 6 0 59 294.399 5 ↓

Analogs

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Popular Name: 2-(4-methylpyrazol-1-yl)-1-morpholino-ethanone 2-(4-methylpyrazol-1-yl)-1-morph…

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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) -0.04 3.07 -15.6 0 5 0 47 209.249 2 ↓

Analogs

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Popular Name: 2-(3-amino-4-chloro-pyrazol-1-yl)-1-morpholino-ethanone 2-(3-amino-4-chloro-pyrazol-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) -0.20 1.79 -16.04 2 6 0 73 244.682 2 ↓

Analogs

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Popular Name: morpholine, 4-[(3-amino-4-methyl-1H-pyrazol-1-yl)acetyl]- morpholine, 4-[(3-amino-4-methyl…

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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) -0.43 1.95 -16.91 2 6 0 73 224.264 2 ↓

Analogs

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Popular Name: 2-(4-bromo-3-nitro-pyrazol-1-yl)-1-morpholino-ethanone 2-(4-bromo-3-nitro-pyrazol-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) 0.40 4.64 -22.5 0 8 0 93 319.115 3 ↓

Analogs

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Popular Name: 1-(3,3-dimethylmorpholin-4-yl)-2-(3-nitropyrazol-1-yl)ethanone 1-(3,3-dimethylmorpholin-4-yl)-2…

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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) 0.48 5.43 -22.06 0 8 0 93 268.273 3 ↓

Analogs

44353864
44353864
44353865
44353865
35773332
35773332
35773331
35773331
40326056
40326056

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Popular Name: 2-(4-aminopyrazol-1-yl)-1-(3,3-dimethylmorpholin-4-yl)ethanone 2-(4-aminopyrazol-1-yl)-1-(3,3-d…

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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) -0.20 1.56 -13.67 2 6 0 73 238.291 2 ↓

Parameters Provided:

ring.id = 19979
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 = 19979 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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