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

Analogs

40770354
40770354
40770356
40770356
40770358
40770358

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]carbamoyl]cyclopropanecarboxylic (1S,2R)-2-[[(2S)-3-methyl-2-(4-m…

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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) 0.80 5.16 -75.23 2 6 0 77 297.399 6 ↓
Hi High (pH 8-9.5) 0.80 2.8 -50.53 1 6 -1 76 296.391 6 ↓
Mid Mid (pH 6-8) 0.80 5.52 -60.71 2 6 0 77 297.399 6 ↓

Analogs

40770356
40770356
40770358
40770358
40770352
40770352

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]carbamoyl]cyclopropanecarboxylic (1S,2R)-2-[[(2R)-3-methyl-2-(4-m…

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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) 0.80 5.16 -60.69 2 6 0 77 297.399 6 ↓
Hi High (pH 8-9.5) 0.80 3.58 -54.82 1 6 -1 76 296.391 6 ↓
Mid Mid (pH 6-8) 0.80 5.93 -56.46 2 6 0 77 297.399 6 ↓

Analogs

40770358
40770358
40770352
40770352
40770354
40770354

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]carbamoyl]cyclopropanecarboxylic (1S,2S)-2-[[(2S)-3-methyl-2-(4-m…

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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) 0.80 5.2 -69.07 2 6 0 77 297.399 6 ↓
Hi High (pH 8-9.5) 0.80 2.84 -48 1 6 -1 76 296.391 6 ↓
Mid Mid (pH 6-8) 0.80 5.54 -66.24 2 6 0 77 297.399 6 ↓

Analogs

40770352
40770352
40770354
40770354
40770356
40770356

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]carbamoyl]cyclopropanecarboxylic (1S,2S)-2-[[(2R)-3-methyl-2-(4-m…

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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) 0.80 5.24 -72.49 2 6 0 77 297.399 6 ↓
Hi High (pH 8-9.5) 0.80 3.67 -47.32 1 6 -1 76 296.391 6 ↓
Mid Mid (pH 6-8) 0.80 5.92 -68.03 2 6 0 77 297.399 6 ↓

Analogs

37802603
37802603
37802604
37802604

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclopropanecarboxamide (1S,2R)-2-methyl-N-[2-(4-methyls…

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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 0.2 -14.49 1 6 0 70 289.401 5 ↓
Mid Mid (pH 6-8) 0.19 2.42 -51.79 2 6 1 71 290.409 5 ↓

Analogs

37802603
37802603
37802604
37802604

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclopropanecarboxamide (1S,2S)-2-methyl-N-[2-(4-methyls…

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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 0.14 -15.19 1 6 0 70 289.401 5 ↓
Mid Mid (pH 6-8) 0.19 2.37 -52.64 2 6 1 71 290.409 5 ↓

Analogs

37802603
37802603
37802604
37802604

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclopropanecarboxamide (1R,2R)-2-methyl-N-[2-(4-methyls…

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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 0.16 -15.16 1 6 0 70 289.401 5 ↓
Mid Mid (pH 6-8) 0.19 2.37 -52.64 2 6 1 71 290.409 5 ↓

Analogs

37802603
37802603
37802604
37802604

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclopropanecarboxamide (1R,2S)-2-methyl-N-[2-(4-methyls…

Find On: PubMed — Wikipedia — Google

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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 0.2 -14.5 1 6 0 70 289.401 5 ↓
Mid Mid (pH 6-8) 0.19 2.42 -51.76 2 6 1 71 290.409 5 ↓

Analogs

42590270
42590270
19680709
19680709

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopropanecarboxamide N-[2-(4-methylpiperazin-1-yl)eth…

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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) 0.21 2.8 -39.34 2 4 1 37 212.317 4 ↓
Hi High (pH 8-9.5) 0.21 0.43 -8.01 1 4 0 36 211.309 4 ↓

Analogs

42430598
42430598
42430599
42430599
42430600
42430600
37759579
37759579
37759580
37759580

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(2-piperazin-1-ylethylcarbamoyl)cyclopropanecarboxylic (1S,2R)-2-(2-piperazin-1-ylethyl…

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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) -0.91 1.12 -72 3 6 0 89 241.291 5 ↓
Lo Low (pH 4.5-6) -0.91 -0.82 -49.98 4 6 1 86 242.299 5 ↓

Analogs

42430599
42430599
42430600
42430600
42430597
42430597
37759579
37759579
37759580
37759580

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(2-piperazin-1-ylethylcarbamoyl)cyclopropanecarboxylic (1S,2S)-2-(2-piperazin-1-ylethyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.91 1.21 -76.49 3 6 0 89 241.291 5 ↓
Lo Low (pH 4.5-6) -0.91 -0.78 -46.36 4 6 1 86 242.299 5 ↓

Analogs

42430600
42430600
42430597
42430597
42430598
42430598
37759579
37759579
37759580
37759580

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(2-piperazin-1-ylethylcarbamoyl)cyclopropanecarboxylic (1R,2R)-2-(2-piperazin-1-ylethyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.91 1.22 -76.83 3 6 0 89 241.291 5 ↓
Lo Low (pH 4.5-6) -0.91 -0.78 -46.36 4 6 1 86 242.299 5 ↓

Analogs

42430597
42430597
42430598
42430598
42430599
42430599
37759579
37759579
37759580
37759580

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(2-piperazin-1-ylethylcarbamoyl)cyclopropanecarboxylic (1R,2S)-2-(2-piperazin-1-ylethyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.91 1.12 -75.77 3 6 0 89 241.291 5 ↓
Lo Low (pH 4.5-6) -0.91 -0.82 -50.33 4 6 1 86 242.299 5 ↓

Parameters Provided:

ring.id = 517914
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 = 517914 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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