UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2013499
2013499
5459478
5459478
27877188
27877188

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Popular Name: Allylprodine Allylprodine

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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) 3.85 4.02 -40.52 1 3 1 30 288.411 6 ↓

Analogs

2041327
2041327
3875422
3875422
3875423
3875423
4005649
4005649
4005650
4005650

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Popular Name: DCF DCF

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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) 3.64 3.5 -39.75 1 3 1 30 276.4 4 ↓

Analogs

16697200
16697200

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Popular Name: isopropyl isopropyl

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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) 2.92 5.76 -8.78 1 4 0 50 263.337 3 ↓

Analogs

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Popular Name: 4-(3-(Trifluoromethoxy)phenyl)piperidine 4-(3-(Trifluoromethoxy)phenyl)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) 3.16 5.69 -44.04 2 2 1 26 246.252 3 ↓

Analogs

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Popular Name: 1-methyl-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol 1-methyl-4-[3-(trifluoromethoxy)…

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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) 2.71 4.9 -39.47 2 3 1 34 276.278 3 ↓
Hi High (pH 8-9.5) 2.71 2.53 -3.81 1 3 0 33 275.27 3 ↓

Analogs

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Popular Name: 1-ethyl-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol 1-ethyl-4-[3-(trifluoromethoxy)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) 3.09 5.56 -38.23 2 3 1 34 290.305 4 ↓
Hi High (pH 8-9.5) 3.09 3.34 -3.7 1 3 0 33 289.297 4 ↓

Analogs

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Popular Name: 1-propyl-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol 1-propyl-4-[3-(trifluoromethoxy)…

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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) 3.59 6.3 -38.93 2 3 1 34 304.332 5 ↓

Analogs

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Popular Name: 1-isopropyl-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol 1-isopropyl-4-[3-(trifluorometho…

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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) 3.38 6.09 -36.75 2 3 1 34 304.332 4 ↓
Hi High (pH 8-9.5) 3.38 3.9 -3.63 1 3 0 33 303.324 4 ↓

Analogs

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Popular Name: N-(3-methoxypropyl)-N-methyl-4-phenyl-piperidine-4-carboxamide N-(3-methoxypropyl)-N-methyl-4-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) 1.42 5.89 -46.24 2 4 1 46 291.415 6 ↓

Analogs

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Popular Name: 4-(m-tolyl)piperidine-4-carbonitrile 4-(m-tolyl)piperidine-4-carbonit…

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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) 2.02 6.33 -48.39 2 2 1 40 201.293 1 ↓
Hi High (pH 8-9.5) 2.02 4.95 -6.67 1 2 0 36 200.285 1 ↓

Analogs

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Popular Name: [4-(o-tolyl)-4-piperidyl]methanamine [4-(o-tolyl)-4-piperidyl]methana…

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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) 1.02 3.72 -115.22 5 2 2 44 206.333 2 ↓
Hi High (pH 8-9.5) 1.02 3.35 -43.4 4 2 1 43 205.325 2 ↓

Analogs

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Popular Name: [4-(m-tolyl)-4-piperidyl]methanamine [4-(m-tolyl)-4-piperidyl]methana…

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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 4.08 -111.94 5 2 2 44 206.333 2 ↓
Hi High (pH 8-9.5) 1.04 3.76 -42.81 4 2 1 43 205.325 2 ↓

Analogs

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Popular Name: [4-(p-tolyl)-4-piperidyl]methanamine [4-(p-tolyl)-4-piperidyl]methana…

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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 4.09 -111.59 5 2 2 44 206.333 2 ↓
Hi High (pH 8-9.5) 1.07 4.21 -42.72 4 2 1 43 205.325 2 ↓

Analogs

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Popular Name: N,N-dimethyl-4-phenyl-piperidin-4-amine N,N-dimethyl-4-phenyl-piperidin-…

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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) 1.83 4.73 -39.06 2 2 1 20 205.325 2 ↓
Lo Low (pH 4.5-6) 1.83 6.25 -108.7 3 2 2 21 206.333 2 ↓

Analogs

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Popular Name: N,1-dimethyl-4-phenyl-piperidin-4-amine N,1-dimethyl-4-phenyl-piperidin-…

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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) 2.18 6.1 -34.2 2 2 1 16 205.325 2 ↓

Analogs

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Popular Name: [4-(2-fluorophenyl)-4-piperidyl]methanamine [4-(2-fluorophenyl)-4-piperidyl]…

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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) 0.74 3.33 -110.26 5 2 2 44 210.296 2 ↓
Hi High (pH 8-9.5) 0.74 3 -43.4 4 2 1 43 209.288 2 ↓

Analogs

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Popular Name: [4-(4-fluorophenyl)-4-piperidyl]methanamine [4-(4-fluorophenyl)-4-piperidyl]…

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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 3.48 -118.25 5 2 2 44 210.296 2 ↓
Hi High (pH 8-9.5) 0.78 3.6 -46.31 4 2 1 43 209.288 2 ↓

Analogs

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Popular Name: 4-(3-Methoxyphenyl)-4-piperidinecarbonitrile 4-(3-Methoxyphenyl)-4-piperidine…

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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) 1.63 4.96 -50.89 2 3 1 50 217.292 2 ↓
Hi High (pH 8-9.5) 1.63 3.59 -8.98 1 3 0 45 216.284 2 ↓

Analogs

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Popular Name: 4-(4-methoxyphenyl)piperidine-4-carbonitrile 4-(4-methoxyphenyl)piperidine-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) 1.66 4.96 -50.58 2 3 1 50 217.292 2 ↓
Hi High (pH 8-9.5) 1.66 3.59 -6.81 1 3 0 45 216.284 2 ↓

Analogs

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Popular Name: 4-(o-tolyl)piperidine-4-carboxamide 4-(o-tolyl)piperidine-4-carboxamide

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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 2.45 -41.49 4 3 1 60 219.308 2 ↓

Analogs

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Popular Name: 4-(m-tolyl)piperidine-4-carboxamide 4-(m-tolyl)piperidine-4-carboxamide

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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) 0.97 2.83 -43.47 4 3 1 60 219.308 2 ↓

Analogs

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Popular Name: 4-(p-tolyl)piperidine-4-carboxamide 4-(p-tolyl)piperidine-4-carboxamide

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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) 1.00 2.83 -43.88 4 3 1 60 219.308 2 ↓

Analogs

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Popular Name: [4-(2-methoxyphenyl)-4-piperidyl]methanamine [4-(2-methoxyphenyl)-4-piperidyl…

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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 3.04 -107.74 5 3 2 53 222.332 3 ↓
Hi High (pH 8-9.5) 0.63 2.72 -38.55 4 3 1 52 221.324 3 ↓

Analogs

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Popular Name: [4-(3-methoxyphenyl)-4-piperidyl]methanamine [4-(3-methoxyphenyl)-4-piperidyl…

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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) 0.65 2.71 -112.87 5 3 2 53 222.332 3 ↓
Hi High (pH 8-9.5) 0.65 2.84 -44.7 4 3 1 52 221.324 3 ↓

Analogs

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Popular Name: [4-(4-methoxyphenyl)-4-piperidyl]methanamine [4-(4-methoxyphenyl)-4-piperidyl…

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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) 0.68 2.71 -114.87 5 3 2 53 222.332 3 ↓
Hi High (pH 8-9.5) 0.68 2.39 -45.07 4 3 1 52 221.324 3 ↓

Analogs

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Popular Name: 4-(3-chlorophenyl)piperidine-4-carbonitrile 4-(3-chlorophenyl)piperidine-4-c…

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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) 2.25 6.18 -48.82 2 2 1 40 221.711 1 ↓
Hi High (pH 8-9.5) 2.25 4.81 -5.23 1 2 0 36 220.703 1 ↓

Analogs

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Popular Name: 4-(4-Chlorophenyl)piperidine-4-carbonitrile 4-(4-Chlorophenyl)piperidine-4-c…

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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) 2.28 6.18 -51.19 2 2 1 40 221.711 1 ↓
Hi High (pH 8-9.5) 2.28 4.81 -5.88 1 2 0 36 220.703 1 ↓

Analogs

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Popular Name: 4-(2-fluorophenyl)piperidine-4-carboxamide 4-(2-fluorophenyl)piperidine-4-c…

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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 2.1 -47.29 4 3 1 60 223.271 2 ↓

Analogs

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Popular Name: 4-(4-fluorophenyl)piperidine-4-carboxamide 4-(4-fluorophenyl)piperidine-4-c…

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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) 0.71 2.22 -47.3 4 3 1 60 223.271 2 ↓

Analogs

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Popular Name: [4-(2-chlorophenyl)-4-piperidyl]methanamine [4-(2-chlorophenyl)-4-piperidyl]…

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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) 1.25 3.59 -109.62 5 2 2 44 226.751 2 ↓
Hi High (pH 8-9.5) 1.25 3.26 -41.7 4 2 1 43 225.743 2 ↓

Analogs

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Popular Name: [4-(3-chlorophenyl)-4-piperidyl]methanamine [4-(3-chlorophenyl)-4-piperidyl]…

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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) 1.27 3.93 -114.92 5 2 2 44 226.751 2 ↓
Hi High (pH 8-9.5) 1.27 4.05 -43.81 4 2 1 43 225.743 2 ↓

Analogs

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Popular Name: [4-(4-chlorophenyl)-4-piperidyl]methanamine [4-(4-chlorophenyl)-4-piperidyl]…

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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) 1.30 3.93 -117.24 5 2 2 44 226.751 2 ↓
Hi High (pH 8-9.5) 1.30 4.05 -45.15 4 2 1 43 225.743 2 ↓

Analogs

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Popular Name: 4-(4-isopropylphenyl)piperidine-4-carbonitrile 4-(4-isopropylphenyl)piperidine-…

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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) 3.11 7.59 -48.22 2 2 1 40 229.347 2 ↓
Hi High (pH 8-9.5) 3.11 6.22 -5.34 1 2 0 36 228.339 2 ↓

Analogs

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Popular Name: 4-(2-methoxy-5-methyl-phenyl)piperidine-4-carbonitrile 4-(2-methoxy-5-methyl-phenyl)pip…

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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) 2.03 5.84 -48.49 2 3 1 50 231.319 2 ↓
Hi High (pH 8-9.5) 2.03 4.47 -8.13 1 3 0 45 230.311 2 ↓

Analogs

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Popular Name: (1-isopropyl-4-phenyl-4-piperidyl)methanamine (1-isopropyl-4-phenyl-4-piperidy…

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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) 1.89 6.81 -107.9 4 2 2 32 234.387 3 ↓
Hi High (pH 8-9.5) 1.89 6.5 -34.99 3 2 1 30 233.379 3 ↓

Analogs

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Popular Name: [4-(4-isopropylphenyl)-4-piperidyl]methanamine [4-(4-isopropylphenyl)-4-piperid…

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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) 2.13 5.34 -111.88 5 2 2 44 234.387 3 ↓
Hi High (pH 8-9.5) 2.13 5.46 -42.28 4 2 1 43 233.379 3 ↓

Analogs

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Popular Name: 1-ethyl-4-(2-fluorophenyl)piperidin-4-ol 1-ethyl-4-(2-fluorophenyl)piperi…

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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) 2.26 5.75 -31.4 2 2 1 25 224.299 2 ↓
Hi High (pH 8-9.5) 2.26 3.52 -4.11 1 2 0 23 223.291 2 ↓

Analogs

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Popular Name: 4-(2-fluorophenyl)-1-propyl-piperidin-4-ol 4-(2-fluorophenyl)-1-propyl-pipe…

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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) 2.76 6.5 -31.95 2 2 1 25 238.326 3 ↓

Analogs

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Popular Name: 4-(2-Fluoro-phenyl)-1-isopropyl-piperidin-4-ol 4-(2-Fluoro-phenyl)-1-isopropyl-…

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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) 2.55 6.28 -29.86 2 2 1 25 238.326 2 ↓
Hi High (pH 8-9.5) 2.55 4.08 -4.09 1 2 0 23 237.318 2 ↓

Analogs

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Popular Name: 4-(3-methoxyphenyl)piperidine-4-carboxamide 4-(3-methoxyphenyl)piperidine-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) 0.58 1.46 -42.9 4 4 1 69 235.307 3 ↓

Analogs

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Popular Name: [4-(4-ethoxyphenyl)-4-piperidyl]methanamine [4-(4-ethoxyphenyl)-4-piperidyl]…

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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) 1.05 3.64 -114.89 5 3 2 53 236.359 4 ↓
Hi High (pH 8-9.5) 1.05 3.75 -44.98 4 3 1 52 235.351 4 ↓

Analogs

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Popular Name: [4-(2-methoxy-5-methyl-phenyl)-4-piperidyl]methanamine [4-(2-methoxy-5-methyl-phenyl)-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) 1.05 3.72 -108.78 5 3 2 53 236.359 3 ↓
Hi High (pH 8-9.5) 1.05 3.39 -38.63 4 3 1 52 235.351 3 ↓

Analogs

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Popular Name: 1-[4-(4-fluorophenyl)-1-methyl-4-piperidyl]ethanone 1-[4-(4-fluorophenyl)-1-methyl-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) 0.95 8.07 -40.68 1 2 1 22 236.31 2 ↓

Analogs

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Popular Name: [1-ethyl-4-(4-fluorophenyl)-4-piperidyl]methanamine [1-ethyl-4-(4-fluorophenyl)-4-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) 1.75 6.36 -114.84 4 2 2 32 238.35 3 ↓
Hi High (pH 8-9.5) 1.75 6.48 -40.27 3 2 1 30 237.342 3 ↓

Analogs

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Popular Name: 4-(2-chloro-6-fluoro-phenyl)piperidine-4-carbonitrile 4-(2-chloro-6-fluoro-phenyl)pipe…

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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) 2.35 5.79 -43.95 2 2 1 40 239.701 1 ↓
Hi High (pH 8-9.5) 2.35 4.42 -6.72 1 2 0 36 238.693 1 ↓

Analogs

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Popular Name: 4-(2-chlorophenyl)piperidine-4-carboxamide 4-(2-chlorophenyl)piperidine-4-c…

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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) 1.18 2.41 -44.67 4 3 1 60 239.726 2 ↓

Analogs

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Popular Name: 4-(3-chlorophenyl)piperidine-4-carboxamide 4-(3-chlorophenyl)piperidine-4-c…

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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) 1.20 2.68 -43.21 4 3 1 60 239.726 2 ↓

Analogs

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Popular Name: 4-(4-chlorophenyl)piperidine-4-carboxamide 4-(4-chlorophenyl)piperidine-4-c…

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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) 1.23 2.67 -46.3 4 3 1 60 239.726 2 ↓

Analogs

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Popular Name: 4-(4-tert-butylphenyl)piperidine-4-carbonitrile 4-(4-tert-butylphenyl)piperidine…

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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) 3.31 7.99 -48.26 2 2 1 40 243.374 2 ↓
Hi High (pH 8-9.5) 3.31 6.61 -5.39 1 2 0 36 242.366 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-chloro-6-fluoro-phenyl)-4-piperidyl]methanamine [4-(2-chloro-6-fluoro-phenyl)-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) 1.36 3.57 -103.57 5 2 2 44 244.741 2 ↓
Hi High (pH 8-9.5) 1.36 3.21 -36.53 4 2 1 43 243.733 2 ↓

Parameters Provided:

ring.id = 14
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 = 14 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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