UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[cyclopropyl(ethyl)amino]-1-piperazin-1-yl-propan-1-one 3-[cyclopropyl(ethyl)amino]-1-pi…

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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) 0.00 5.38 -94.97 3 4 2 41 227.352 5 ↓
Mid Mid (pH 6-8) 0.00 4.09 -37.43 2 4 1 37 226.344 5 ↓

Analogs

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Popular Name: 3-[cyclopropyl(methyl)amino]-1-piperazin-1-yl-propan-1-one 3-[cyclopropyl(methyl)amino]-1-p…

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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) -0.37 4.76 -95.91 3 4 2 41 213.325 4 ↓
Mid Mid (pH 6-8) -0.37 3.45 -38.69 2 4 1 37 212.317 4 ↓

Analogs

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Popular Name: 3-[cyclopropyl(propyl)amino]-1-piperazin-1-yl-propan-1-one 3-[cyclopropyl(propyl)amino]-1-p…

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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) 0.50 6.16 -95.78 3 4 2 41 241.379 6 ↓
Mid Mid (pH 6-8) 0.50 4.87 -37.82 2 4 1 37 240.371 6 ↓

Analogs

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Popular Name: 3-[butyl(cyclopropyl)amino]-1-piperazin-1-yl-propan-1-one 3-[butyl(cyclopropyl)amino]-1-pi…

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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) 1.06 6.93 -96.88 3 4 2 41 255.406 7 ↓
Mid Mid (pH 6-8) 1.06 5.64 -38.53 2 4 1 37 254.398 7 ↓

Analogs

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Popular Name: 3-[cyclopropyl(2-methoxyethyl)amino]-1-piperazin-1-yl-propan-1-one 3-[cyclopropyl(2-methoxyethyl)am…

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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 4.55 -92.3 3 5 2 51 257.378 7 ↓
Hi High (pH 8-9.5) -0.39 1.12 -7.45 1 5 0 45 255.362 7 ↓
Mid Mid (pH 6-8) -0.39 3.25 -35.34 2 5 1 46 256.37 7 ↓

Analogs

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Popular Name: 3-[cyclopropyl(isobutyl)amino]-1-piperazin-1-yl-propan-1-one 3-[cyclopropyl(isobutyl)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) 0.75 6.83 -94.48 3 4 2 41 255.406 6 ↓
Mid Mid (pH 6-8) 0.75 5.54 -36.69 2 4 1 37 254.398 6 ↓

Analogs

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Popular Name: 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-yl-propan-1-one 3-[cyclopropyl(2,2,2-trifluoroet…

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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 3.59 -49 2 4 1 40 280.314 6 ↓
Mid Mid (pH 6-8) 0.55 2.3 -8.25 1 4 0 36 279.306 6 ↓
Lo Low (pH 4.5-6) 0.55 5.67 -101.86 3 4 2 41 281.322 6 ↓

Analogs

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Popular Name: 3-(cyclopropylamino)-1-[4-[(1R)-1-methylpropyl]piperazin-1-yl]propan-1-one 3-(cyclopropylamino)-1-[4-[(1R)-…

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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) 1.19 4.97 -42.23 2 4 1 40 254.398 6 ↓
Mid Mid (pH 6-8) 1.19 6.82 -94.14 3 4 2 41 255.406 6 ↓

Analogs

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Popular Name: 3-(cyclopropylamino)-1-[4-[(1S)-1-methylpropyl]piperazin-1-yl]propan-1-one 3-(cyclopropylamino)-1-[4-[(1S)-…

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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) 1.19 5.02 -42.29 2 4 1 40 254.398 6 ↓
Mid Mid (pH 6-8) 1.19 6.84 -93.51 3 4 2 41 255.406 6 ↓

Analogs

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Popular Name: 4-[3-(cyclopropylamino)propanoyl]-N-ethyl-piperazine-1-carboxamide 4-[3-(cyclopropylamino)propanoyl…

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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) 0.56 3.88 -48.92 3 6 1 69 269.369 5 ↓

Analogs

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Popular Name: 1-(4-acetylpiperazin-1-yl)-3-(cyclopropylamino)propan-1-one 1-(4-acetylpiperazin-1-yl)-3-(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) -0.66 4.14 -48.41 2 5 1 57 240.327 4 ↓

Analogs

12604997
12604997

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Popular Name: 3-(cyclopropylamino)-1-[4-(2-methoxyacetyl)piperazin-1-yl]propan-1-one 3-(cyclopropylamino)-1-[4-(2-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) -0.72 4.3 -51.25 2 6 1 66 270.353 6 ↓

Analogs

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Popular Name: 1-[4-[3-(cyclopropylamino)propanoyl]piperazin-1-yl]-3-methyl-butan-1-one 1-[4-[3-(cyclopropylamino)propan…

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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) 0.95 6.27 -47.32 2 5 1 57 282.408 6 ↓

Analogs

51763374
51763374

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Popular Name: 3-(cyclopropylamino)-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]propan-1-one 3-(cyclopropylamino)-1-[4-[2-(di…

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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) -0.67 5.58 -89.92 3 6 2 62 284.404 6 ↓
Hi High (pH 8-9.5) -0.67 3.19 -48.32 2 6 1 60 283.396 6 ↓

Analogs

30402610
30402610

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Popular Name: 4-[3-(cyclopropylamino)propanoyl]-N,N-diethyl-piperazine-1-carboxamide 4-[3-(cyclopropylamino)propanoyl…

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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) 0.62 6.22 -48.72 2 6 1 60 297.423 6 ↓

Analogs

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Popular Name: 4-[3-(cyclopropylamino)propanoyl]-N,N-dimethyl-piperazine-1-carboxamide 4-[3-(cyclopropylamino)propanoyl…

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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) -0.52 4.47 -49.5 2 6 1 60 269.369 4 ↓

Analogs

19677497
19677497

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Popular Name: 3-(cyclopropylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one 3-(cyclopropylamino)-1-(4-propyl…

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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 3.4 -53.06 2 6 1 74 304.436 7 ↓

Analogs

20270003
20270003
6855100
6855100

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Popular Name: 3-(cyclopropylamino)-1-(4-prop-2-ynylpiperazin-1-yl)propan-1-one 3-(cyclopropylamino)-1-(4-prop-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) 0.14 4.05 -45.34 2 4 1 40 236.339 5 ↓
Lo Low (pH 4.5-6) 0.14 6.29 -98.46 3 4 2 41 237.347 5 ↓

Analogs

35679940
35679940

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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) -0.16 3.73 -49.12 2 6 1 66 270.353 7 ↓
Lo Low (pH 4.5-6) -0.16 5.85 -103.26 3 6 2 68 271.361 7 ↓

Analogs

54049343
54049343
20270003
20270003
6855100
6855100

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Popular Name: 1-(4-tert-butylpiperazin-1-yl)-3-(cyclopropylamino)propan-1-one 1-(4-tert-butylpiperazin-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) 1.16 4.4 -42.35 2 4 1 40 254.398 5 ↓
Mid Mid (pH 6-8) 1.16 6.46 -92.77 3 4 2 41 255.406 5 ↓

Parameters Provided:

ring.id = 38897
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 = 38897 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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