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

Analogs

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Popular Name: 2-(cyclopropylmethylamino)-1-[4-[(1R)-1-methylpropyl]piperazin-1-yl]ethanone 2-(cyclopropylmethylamino)-1-[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) 1.07 7.04 -98.43 3 4 2 41 255.406 6 ↓
Hi High (pH 8-9.5) 1.07 3.83 -6.66 1 4 0 36 253.39 6 ↓
Mid Mid (pH 6-8) 1.07 5.19 -41.91 2 4 1 40 254.398 6 ↓

Analogs

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Popular Name: 2-(cyclopropylmethylamino)-1-[4-[(1S)-1-methylpropyl]piperazin-1-yl]ethanone 2-(cyclopropylmethylamino)-1-[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) 1.07 7.06 -97.81 3 4 2 41 255.406 6 ↓
Hi High (pH 8-9.5) 1.07 3.88 -6.56 1 4 0 36 253.39 6 ↓
Mid Mid (pH 6-8) 1.07 5.25 -41.99 2 4 1 40 254.398 6 ↓

Analogs

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Popular Name: 4-[2-(cyclopropylmethylamino)acetyl]-N-ethyl-piperazine-1-carboxamide 4-[2-(cyclopropylmethylamino)ace…

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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) 0.44 4.11 -49.67 3 6 1 69 269.369 5 ↓
Hi High (pH 8-9.5) 0.44 2.75 -11.84 2 6 0 65 268.361 5 ↓

Analogs

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Popular Name: 1-(4-acetylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone 1-(4-acetylpiperazin-1-yl)-2-(cy…

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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) -0.78 4.32 -49.02 2 5 1 57 240.327 4 ↓
Hi High (pH 8-9.5) -0.78 3.01 -11.67 1 5 0 53 239.319 4 ↓

Analogs

47672744
47672744

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Popular Name: 1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-2-methoxy-ethanone 1-[4-[2-(cyclopropylmethylamino)…

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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 4.53 -52.27 2 6 1 66 270.353 6 ↓
Hi High (pH 8-9.5) -0.83 3.17 -14.13 1 6 0 62 269.345 6 ↓

Analogs

36285878
36285878

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Popular Name: 1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-3-methyl-butan-1-one 1-[4-[2-(cyclopropylmethylamino)…

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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 6.51 -48.09 2 5 1 57 282.408 6 ↓
Hi High (pH 8-9.5) 0.83 5.15 -10.56 1 5 0 53 281.4 6 ↓

Analogs

4895360
4895360
37173268
37173268

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Popular Name: 1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-2-(dimethylamino)ethanone 1-[4-[2-(cyclopropylmethylamino)…

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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) -0.79 5.82 -92.06 3 6 2 62 284.404 6 ↓
Hi High (pH 8-9.5) -0.79 3.42 -49.2 2 6 1 60 283.396 6 ↓
Hi High (pH 8-9.5) -0.79 4.45 -44.05 2 6 1 57 283.396 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(cyclopropylmethylamino)acetyl]-N,N-diethyl-piperazine-1-carboxamide 4-[2-(cyclopropylmethylamino)ace…

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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) 0.51 6.46 -49.4 2 6 1 60 297.423 6 ↓
Hi High (pH 8-9.5) 0.51 4.86 -11.74 1 6 0 56 296.415 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(cyclopropylmethylamino)acetyl]-N,N-dimethyl-piperazine-1-carboxamide 4-[2-(cyclopropylmethylamino)ace…

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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) -0.63 4.71 -50.17 2 6 1 60 269.369 4 ↓
Hi High (pH 8-9.5) -0.63 3.34 -12.7 1 6 0 56 268.361 4 ↓

Analogs

41245285
41245285
44456632
44456632
44457285
44457285
60029864
60029864
19677240
19677240

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylmethylamino)-1-(4-propylsulfonylpiperazin-1-yl)ethanone 2-(cyclopropylmethylamino)-1-(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) 0.11 3.64 -54.02 2 6 1 74 304.436 7 ↓
Hi High (pH 8-9.5) 0.11 2.28 -15.15 1 6 0 70 303.428 7 ↓

Analogs

4895360
4895360

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylmethylamino)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone 2-(cyclopropylmethylamino)-1-(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) 0.02 4.27 -45.17 2 4 1 40 236.339 5 ↓
Hi High (pH 8-9.5) 0.02 2.91 -8.93 1 4 0 36 235.331 5 ↓
Lo Low (pH 4.5-6) 0.02 6.51 -102.74 3 4 2 41 237.347 5 ↓

Analogs

36886011
36886011
36886038
36886038
36886180
36886180
36886117
36886117
36886062
36886062

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Popular Name: methyl 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) -0.28 3.95 -48.75 2 6 1 66 270.353 7 ↓
Hi High (pH 8-9.5) -0.28 2.59 -12.2 1 6 0 62 269.345 7 ↓
Lo Low (pH 4.5-6) -0.28 6.08 -107.4 3 6 2 68 271.361 7 ↓

Parameters Provided:

ring.id = 32066
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 = 32066 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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