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

Analogs

37814553
37814553
37814564
37814564
37814565
37814565
37814569
37814569

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone 2-methoxy-1-[4-(2-pyrrolidin-1-y…

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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) -0.03 4.59 -44.21 1 5 1 37 256.37 5 ↓
Hi High (pH 8-9.5) -0.03 2.14 -10.71 0 5 0 36 255.362 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5R)-2,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)piperazine (2R,5R)-2,5-dimethyl-1-(2-pyrrol…

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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 4.28 -84.37 3 3 2 24 213.369 3 ↓
Hi High (pH 8-9.5) 1.08 3.01 -32.16 2 3 1 20 212.361 3 ↓
Hi High (pH 8-9.5) 1.08 1.82 -34.82 2 3 1 23 212.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5R)-2,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)piperazine (2S,5R)-2,5-dimethyl-1-(2-pyrrol…

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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 4.37 -84.91 3 3 2 24 213.369 3 ↓
Hi High (pH 8-9.5) 1.08 1.92 -35.3 2 3 1 23 212.361 3 ↓
Hi High (pH 8-9.5) 1.08 3.09 -32.27 2 3 1 20 212.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S)-2,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)piperazine (2R,5S)-2,5-dimethyl-1-(2-pyrrol…

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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 4.36 -84.85 3 3 2 24 213.369 3 ↓
Hi High (pH 8-9.5) 1.08 1.91 -35.04 2 3 1 23 212.361 3 ↓
Hi High (pH 8-9.5) 1.08 3.11 -32.28 2 3 1 20 212.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-2,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)piperazine (2S,5S)-2,5-dimethyl-1-(2-pyrrol…

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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 4.26 -84.31 3 3 2 24 213.369 3 ↓
Hi High (pH 8-9.5) 1.08 3.15 -31.94 2 3 1 20 212.361 3 ↓
Hi High (pH 8-9.5) 1.08 1.8 -34.61 2 3 1 23 212.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-1-(2-pyrrolidin-1-ylethyl)piperazine 2,2-dimethyl-1-(2-pyrrolidin-1-y…

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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) 0.88 4.08 -85.84 3 3 2 24 213.369 3 ↓
Hi High (pH 8-9.5) 0.88 2.91 -32.29 2 3 1 20 212.361 3 ↓
Hi High (pH 8-9.5) 0.88 1.62 -37.03 2 3 1 23 212.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2,6-dimethyl-1-(2-pyrrolidin-1-ylethyl)piperazine (2S,6R)-2,6-dimethyl-1-(2-pyrrol…

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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) 0.73 3.9 -89.97 3 3 2 24 213.369 3 ↓
Hi High (pH 8-9.5) 0.73 1.45 -37.69 2 3 1 23 212.361 3 ↓
Hi High (pH 8-9.5) 0.73 2.56 -32.58 2 3 1 20 212.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-2,6-dimethyl-1-(2-pyrrolidin-1-ylethyl)piperazine (2S,6S)-2,6-dimethyl-1-(2-pyrrol…

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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) 0.73 4.12 -85.43 3 3 2 24 213.369 3 ↓
Hi High (pH 8-9.5) 0.73 1.68 -37.27 2 3 1 23 212.361 3 ↓
Hi High (pH 8-9.5) 0.73 2.95 -32.31 2 3 1 20 212.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-2,6-dimethyl-1-(2-pyrrolidin-1-ylethyl)piperazine (2R,6R)-2,6-dimethyl-1-(2-pyrrol…

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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) 0.73 4.12 -85.43 3 3 2 24 213.369 3 ↓
Hi High (pH 8-9.5) 0.73 1.67 -36.99 2 3 1 23 212.361 3 ↓
Hi High (pH 8-9.5) 0.73 2.96 -32.38 2 3 1 20 212.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2,5,5-tetramethyl-1-(2-pyrrolidin-1-ylethyl)piperazine 2,2,5,5-tetramethyl-1-(2-pyrroli…

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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) 2.04 5.61 -83.13 3 3 2 24 241.423 3 ↓
Hi High (pH 8-9.5) 2.04 4.55 -32.23 2 3 1 20 240.415 3 ↓
Hi High (pH 8-9.5) 2.04 3.15 -33.22 2 3 1 23 240.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]ethyl]ethanesulfonamide N-[2-[4-[2-[(2S,5R)-2,5-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 1.82 -39.5 2 6 1 57 347.549 8 ↓
Hi High (pH 8-9.5) 0.86 -0.24 -10.47 1 6 0 56 346.541 8 ↓
Mid Mid (pH 6-8) 0.86 4.08 -99.08 3 6 2 58 348.557 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-[2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]ethyl]ethanesulfonamide N-[2-[4-[2-[(2S,5S)-2,5-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 1.45 -39.84 2 6 1 57 347.549 8 ↓
Hi High (pH 8-9.5) 0.86 -0.68 -10.47 1 6 0 56 346.541 8 ↓
Mid Mid (pH 6-8) 0.86 3.71 -99.38 3 6 2 58 348.557 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]ethyl]ethanesulfonamide N-[2-[4-[2-[(2R,5R)-2,5-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 1.45 -39.34 2 6 1 57 347.549 8 ↓
Hi High (pH 8-9.5) 0.86 -0.61 -9.98 1 6 0 56 346.541 8 ↓
Mid Mid (pH 6-8) 0.86 3.71 -99 3 6 2 58 348.557 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N,N-dimethyl-1-(2-piperazin-1-ylethyl)pyrrolidin-3-amine (3R)-N,N-dimethyl-1-(2-piperazin…

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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) -0.18 1.82 -80.93 3 4 2 28 228.384 4 ↓
Mid Mid (pH 6-8) -0.18 1.77 -89.04 3 4 2 28 228.384 4 ↓
Mid Mid (pH 6-8) -0.18 -0.58 -37.68 2 4 1 26 227.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N,N-dimethyl-1-(2-piperazin-1-ylethyl)pyrrolidin-3-amine (3S)-N,N-dimethyl-1-(2-piperazin…

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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) -0.18 1.83 -80.11 3 4 2 28 228.384 4 ↓
Mid Mid (pH 6-8) -0.18 -0.56 -38.04 2 4 1 26 227.376 4 ↓
Mid Mid (pH 6-8) -0.18 1.83 -89.43 3 4 2 28 228.384 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N,N-diethyl-1-(2-piperazin-1-ylethyl)pyrrolidin-3-amine (3R)-N,N-diethyl-1-(2-piperazin-…

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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) 0.57 2.87 -78.52 3 4 2 28 256.438 6 ↓
Hi High (pH 8-9.5) 0.57 0.85 -37.07 2 4 1 26 255.43 6 ↓
Mid Mid (pH 6-8) 0.57 5.22 -170.41 4 4 3 29 257.446 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N,N-diethyl-1-(2-piperazin-1-ylethyl)pyrrolidin-3-amine (3S)-N,N-diethyl-1-(2-piperazin-…

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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) 0.57 2.89 -78.63 3 4 2 28 256.438 6 ↓
Hi High (pH 8-9.5) 0.57 0.73 -37.64 2 4 1 26 255.43 6 ↓
Mid Mid (pH 6-8) 0.57 5.26 -170.97 4 4 3 29 257.446 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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) 1.71 8.21 -41.77 1 7 1 58 383.557 7 ↓
Hi High (pH 8-9.5) 1.71 6.15 -12.56 0 7 0 56 382.549 7 ↓

Analogs

41225819
41225819
63052021
63052021
19702429
19702429

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-4-(2-pyrrolidin-1-ylethyl)piperazine 1-methyl-4-(2-pyrrolidin-1-yleth…

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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 5.34 -82.56 2 3 2 12 199.342 3 ↓
Mid Mid (pH 6-8) 0.67 2.97 -32.66 1 3 1 11 198.334 3 ↓

Analogs

63052021
63052021
41209169
41209169
19702429
19702429

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-4-(2-pyrrolidin-1-ylethyl)piperazine 1-ethyl-4-(2-pyrrolidin-1-ylethy…

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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) 1.04 6.02 -82.3 2 3 2 12 213.369 4 ↓
Mid Mid (pH 6-8) 1.04 3.74 -32.51 1 3 1 11 212.361 4 ↓

Parameters Provided:

ring.id = 27925
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 = 27925 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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