UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-bromo-2-furyl)-(4-propyl-1-piperidyl)methanone (5-bromo-2-furyl)-(4-propyl-1-pi…

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) 3.96 7.52 -4.84 0 3 0 33 300.196 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-hydroxy-1-(3-methylfuran-2-carbonyl)piperidine-4-carboxylic 4-hydroxy-1-(3-methylfuran-2-car…

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) 0.08 3.53 -47.83 1 6 -1 94 252.246 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1-piperidyl)-(5-nitro-2-furyl)methanone (4-amino-1-piperidyl)-(5-nitro-2…

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) -0.02 2.68 -51.74 3 7 1 107 240.239 2 ↓

Analogs

44906883
44906883
32879048
32879048
32901285
32901285
32873749
32873749

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1-piperidyl)-(5-chloro-2-furyl)methanone (4-amino-1-piperidyl)-(5-chloro-…

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) 0.70 2.63 -49.91 3 4 1 61 229.687 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methoxy-1-piperidyl)-(3-methyl-2-furyl)methanone (4-methoxy-1-piperidyl)-(3-methy…

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) 0.65 4.45 -8.77 0 4 0 43 223.272 2 ↓

Analogs

43413321
43413321

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-ethylfuran-2-yl)carbonyl]piperidine-4-carboxylic acid 1-[(5-ethylfuran-2-yl)carbonyl]p…

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) 1.45 6.87 -48.19 0 5 -1 74 250.274 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 2.19 6.87 -10.69 0 5 0 60 271.7 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 2.19 6.77 -10.68 0 5 0 60 271.7 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(2S)-2-cyanopropyl]-1-(furan-2-carbonyl)-N-methyl-piperidine-2-carboxamide (2S)-N-[(2S)-2-cyanopropyl]-1-(f…

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) 1.41 8.02 -20.41 0 6 0 78 303.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(2R)-2-cyanopropyl]-1-(furan-2-carbonyl)-N-methyl-piperidine-2-carboxamide (2S)-N-[(2R)-2-cyanopropyl]-1-(f…

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) 1.41 7.92 -18.93 0 6 0 78 303.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(2S)-2-cyanopropyl]-1-(furan-2-carbonyl)-N-methyl-piperidine-2-carboxamide (2R)-N-[(2S)-2-cyanopropyl]-1-(f…

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) 1.41 7.93 -18.45 0 6 0 78 303.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(2R)-2-cyanopropyl]-1-(furan-2-carbonyl)-N-methyl-piperidine-2-carboxamide (2R)-N-[(2R)-2-cyanopropyl]-1-(f…

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) 1.41 7.54 -16.19 0 6 0 78 303.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-chloro-2-furyl)-[(3S,5R)-3,5-dimethyl-1-piperidyl]methanone (5-chloro-2-furyl)-[(3S,5R)-3,5-…

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) 3.06 6.57 -4.73 0 3 0 33 241.718 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-chloro-2-furyl)-[(3S,5S)-3,5-dimethyl-1-piperidyl]methanone (5-chloro-2-furyl)-[(3S,5S)-3,5-…

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) 3.06 6.81 -4.73 0 3 0 33 241.718 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-chloro-2-furyl)-[(3R,5R)-3,5-dimethyl-1-piperidyl]methanone (5-chloro-2-furyl)-[(3R,5R)-3,5-…

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) 3.06 6.71 -4.76 0 3 0 33 241.718 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-chloro-2-furyl)-(4-methoxy-1-piperidyl)methanone (5-chloro-2-furyl)-(4-methoxy-1-…

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) 1.08 4.4 -6.15 0 4 0 43 243.69 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 0.83 6.7 -22.67 1 7 0 89 322.361 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 0.83 6.64 -22.64 1 7 0 89 322.361 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-bromofuran-2-carbonyl)-4-methyl-piperidine-4-carboxylic 1-(5-bromofuran-2-carbonyl)-4-me…

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) 1.83 6.22 -47.24 0 5 -1 74 315.143 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxylic 4-methyl-1-(5-nitrofuran-2-carbo…

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) 0.98 6.16 -49.88 0 8 -1 119 281.244 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(furan-2-carbonyl)-4-methyl-piperidine-4-carboxylic 1-(furan-2-carbonyl)-4-methyl-pi…

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) 0.90 5.48 -49.87 0 5 -1 74 236.247 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-(3-methylfuran-2-carbonyl)piperidine-4-carboxylic 4-methyl-1-(3-methylfuran-2-carb…

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) 1.27 6.21 -50.07 0 5 -1 74 250.274 2 ↓

Analogs

13167250
13167250

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-(5-methylfuran-2-carbonyl)piperidine-4-carboxylic 4-methyl-1-(5-methylfuran-2-carb…

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) 1.12 6.39 -50.01 0 5 -1 74 250.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-chlorofuran-2-carbonyl)-4-methyl-piperidine-4-carboxylic 1-(5-chlorofuran-2-carbonyl)-4-m…

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) 1.70 6.1 -47.31 0 5 -1 74 270.692 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-4-carboxylic 4-methyl-1-[5-(methylsulfanylmet…

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) 1.63 7.52 -51.37 0 5 -1 74 296.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-ethylfuran-2-carbonyl)-4-methyl-piperidine-4-carboxylic 1-(5-ethylfuran-2-carbonyl)-4-me…

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) 1.69 7.18 -49.67 0 5 -1 74 264.301 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-bromofuran-2-carbonyl)-4-ethyl-piperidine-4-carboxylic 1-(5-bromofuran-2-carbonyl)-4-et…

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) 2.16 6.69 -46.54 0 5 -1 74 329.17 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxylic 4-ethyl-1-(5-nitrofuran-2-carbon…

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) 1.31 6.71 -47.61 0 8 -1 119 295.271 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(furan-2-carbonyl)piperidine-4-carboxylic 4-ethyl-1-(furan-2-carbonyl)pipe…

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) 1.23 5.96 -49.13 0 5 -1 74 250.274 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(3-methylfuran-2-carbonyl)piperidine-4-carboxylic 4-ethyl-1-(3-methylfuran-2-carbo…

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) 1.61 6.72 -49.24 0 5 -1 74 264.301 3 ↓

Analogs

13167250
13167250

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(5-methylfuran-2-carbonyl)piperidine-4-carboxylic 4-ethyl-1-(5-methylfuran-2-carbo…

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) 1.45 6.74 -48.61 0 5 -1 74 264.301 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-chlorofuran-2-carbonyl)-4-ethyl-piperidine-4-carboxylic 1-(5-chlorofuran-2-carbonyl)-4-e…

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) 2.03 6.58 -46.59 0 5 -1 74 284.719 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-4-carboxylic 4-ethyl-1-[5-(methylsulfanylmeth…

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) 1.97 8 -50.71 0 5 -1 74 310.395 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(5-ethylfuran-2-carbonyl)piperidine-4-carboxylic 4-ethyl-1-(5-ethylfuran-2-carbon…

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) 2.02 7.67 -49.57 0 5 -1 74 278.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-bromofuran-2-carbonyl)-4-propyl-piperidine-4-carboxylic 1-(5-bromofuran-2-carbonyl)-4-pr…

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) 2.72 7.46 -46.91 0 5 -1 74 343.197 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(furan-2-carbonyl)-4-propyl-piperidine-4-carboxylic 1-(furan-2-carbonyl)-4-propyl-pi…

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) 1.79 6.73 -49.53 0 5 -1 74 264.301 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-methylfuran-2-carbonyl)-4-propyl-piperidine-4-carboxylic 1-(3-methylfuran-2-carbonyl)-4-p…

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) 2.17 7.49 -49.6 0 5 -1 74 278.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-methylfuran-2-carbonyl)-4-propyl-piperidine-4-carboxylic 1-(5-methylfuran-2-carbonyl)-4-p…

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) 2.01 7.51 -48.98 0 5 -1 74 278.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-chlorofuran-2-carbonyl)-4-propyl-piperidine-4-carboxylic 1-(5-chlorofuran-2-carbonyl)-4-p…

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) 2.59 7.35 -46.95 0 5 -1 74 298.746 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-ethylfuran-2-carbonyl)-4-propyl-piperidine-4-carboxylic 1-(5-ethylfuran-2-carbonyl)-4-pr…

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) 2.58 8.44 -49.36 0 5 -1 74 292.355 5 ↓

Analogs

13170339
13170339
13170340
13170340

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(5-bromofuran-2-carbonyl)-3-methyl-piperidine-3-carboxylic (3S)-1-(5-bromofuran-2-carbonyl)…

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) 1.83 6.65 -47.86 0 5 -1 74 315.143 2 ↓

Analogs

13170339
13170339
13170340
13170340

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(5-bromofuran-2-carbonyl)-3-methyl-piperidine-3-carboxylic (3R)-1-(5-bromofuran-2-carbonyl)…

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) 1.83 6.76 -47.88 0 5 -1 74 315.143 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(5-nitrofuran-2-carbonyl)piperidine-3-carboxylic (3S)-3-methyl-1-(5-nitrofuran-2-…

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) 0.98 6.6 -47.25 0 8 -1 119 281.244 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(5-nitrofuran-2-carbonyl)piperidine-3-carboxylic (3R)-3-methyl-1-(5-nitrofuran-2-…

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) 0.98 6.71 -47.34 0 8 -1 119 281.244 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(furan-2-carbonyl)-3-methyl-piperidine-3-carboxylic (3S)-1-(furan-2-carbonyl)-3-meth…

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) 0.90 5.92 -52.54 0 5 -1 74 236.247 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(furan-2-carbonyl)-3-methyl-piperidine-3-carboxylic (3R)-1-(furan-2-carbonyl)-3-meth…

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) 0.90 6.03 -52.42 0 5 -1 74 236.247 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(3-methylfuran-2-carbonyl)piperidine-3-carboxylic (3R)-3-methyl-1-(3-methylfuran-2…

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) 1.27 6.69 -45.58 0 5 -1 74 250.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(3-methylfuran-2-carbonyl)piperidine-3-carboxylic (3S)-3-methyl-1-(3-methylfuran-2…

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) 1.27 6.73 -52.27 0 5 -1 74 250.274 2 ↓

Analogs

13170774
13170774
13170775
13170775

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(5-methylfuran-2-carbonyl)piperidine-3-carboxylic (3R)-3-methyl-1-(5-methylfuran-2…

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) 1.12 6.82 -45.69 0 5 -1 74 250.274 2 ↓

Analogs

13170774
13170774
13170775
13170775

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(5-methylfuran-2-carbonyl)piperidine-3-carboxylic (3S)-3-methyl-1-(5-methylfuran-2…

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) 1.12 6.86 -51.69 0 5 -1 74 250.274 2 ↓

Parameters Provided:

ring.id = 13398
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 = 13398 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=13398&filter.purchasability=annotated

Embed Link to Results