UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[(2S)-1-(1-naphthylmethyl)-2-piperidyl]methyl]ethanamine N-[[(2S)-1-(1-naphthylmethyl)-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) 3.61 11.05 -122.42 3 2 2 21 284.447 5 ↓
Mid Mid (pH 6-8) 3.61 9.14 -40.67 2 2 1 20 283.439 5 ↓

Analogs

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Popular Name: N-[[(2R)-1-(1-naphthylmethyl)-2-piperidyl]methyl]ethanamine N-[[(2R)-1-(1-naphthylmethyl)-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) 3.61 11.02 -120.7 3 2 2 21 284.447 5 ↓
Mid Mid (pH 6-8) 3.61 8.79 -43.56 2 2 1 20 283.439 5 ↓

Analogs

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Popular Name: 3-piperidinemethanamine, N-ethyl-1-(1-naphthalenylmethyl)- 3-piperidinemethanamine, N-ethyl…

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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) 3.48 11.15 -106.63 3 2 2 21 284.447 5 ↓
Mid Mid (pH 6-8) 3.48 8.89 -40.69 2 2 1 20 283.439 5 ↓

Analogs

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Popular Name: 3-piperidinemethanamine, N-ethyl-1-(1-naphthalenylmethyl)- 3-piperidinemethanamine, N-ethyl…

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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) 3.48 11.17 -106.54 3 2 2 21 284.447 5 ↓
Mid Mid (pH 6-8) 3.48 9.13 -40.93 2 2 1 20 283.439 5 ↓

Analogs

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Popular Name: N-[[1-(1-naphthylmethyl)-4-piperidyl]methyl]ethanamine N-[[1-(1-naphthylmethyl)-4-piper…

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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) 3.48 11.18 -101.77 3 2 2 21 284.447 5 ↓

Analogs

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Popular Name: 4-methoxy-1-(1-naphthylmethyl)piperidine 4-methoxy-1-(1-naphthylmethyl)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) 2.54 9.44 -39.17 1 2 1 14 256.369 3 ↓
Hi High (pH 8-9.5) 2.54 7.18 -4.66 0 2 0 12 255.361 3 ↓

Analogs

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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) 3.57 9.03 -41.73 3 6 1 80 385.484 7 ↓
Mid Mid (pH 6-8) 3.57 9.96 -38.06 2 6 0 83 384.476 7 ↓

Analogs

5735717
5735717

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Popular Name: 1-[(2-ethyl-1-piperidyl)methyl]naphthalen-2-ol 1-[(2-ethyl-1-piperidyl)methyl]n…

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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) 4.61 0.3 -32.07 2 2 1 24 270.396 3 ↓

Analogs

5735717
5735717

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Popular Name: 1-[(2-ethyl-1-piperidyl)methyl]naphthalen-2-ol 1-[(2-ethyl-1-piperidyl)methyl]n…

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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) 4.61 0.25 -32.17 2 2 1 24 270.396 3 ↓

Analogs

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Popular Name: 4-methyl-1-(1-naphthylmethyl)piperidine-4-carboxylic 4-methyl-1-(1-naphthylmethyl)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) 3.16 11.28 -60.49 1 3 0 45 283.371 3 ↓

Analogs

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Popular Name: N-[1-[(2-hydroxy-7-methoxy-1-naphthyl)methyl]-4-piperidyl]-N-methyl-ethanesulfonamide N-[1-[(2-hydroxy-7-methoxy-1-nap…

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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) 3.04 5.82 -47.33 2 6 1 71 393.529 6 ↓
Hi High (pH 8-9.5) 3.04 6.36 -32.3 1 6 0 74 392.521 6 ↓
Hi High (pH 8-9.5) 3.04 3.55 -14.21 1 6 0 70 392.521 6 ↓

Analogs

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Popular Name: N-ethyl-N-[1-[(2-hydroxy-7-methoxy-1-naphthyl)methyl]-4-piperidyl]methanesulfonamide N-ethyl-N-[1-[(2-hydroxy-7-metho…

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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) 3.04 5.61 -48.51 2 6 1 71 393.529 6 ↓
Hi High (pH 8-9.5) 3.04 3.36 -14.31 1 6 0 70 392.521 6 ↓
Hi High (pH 8-9.5) 3.04 6.15 -33.13 1 6 0 74 392.521 6 ↓

Analogs

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Popular Name: N-[[(3S)-1-[(2-hydroxy-1-naphthyl)methyl]-3-piperidyl]methyl]acetamide N-[[(3S)-1-[(2-hydroxy-1-naphthy…

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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 6.37 -42.59 3 4 1 54 313.421 4 ↓
Hi High (pH 8-9.5) 2.76 7.12 -35.06 2 4 0 57 312.413 4 ↓

Analogs

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Popular Name: N-[[(3R)-1-[(2-hydroxy-1-naphthyl)methyl]-3-piperidyl]methyl]acetamide N-[[(3R)-1-[(2-hydroxy-1-naphthy…

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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 6.78 -43.1 3 4 1 54 313.421 4 ↓
Hi High (pH 8-9.5) 2.76 7.53 -34.47 2 4 0 57 312.413 4 ↓

Analogs

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Popular Name: 4-piperidinecarboxylic acid, 1-[(2-methoxy-1-naphthalenyl)methyl]- 4-piperidinecarboxylic acid, 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) 2.93 10.04 -52.77 1 4 0 54 299.37 4 ↓

Analogs

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Popular Name: 4-piperidinecarboxylic acid, 1-(1-naphthalenylmethyl)-, hydrazide 4-piperidinecarboxylic acid, 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) 1.33 7.23 -50.37 4 4 1 60 284.383 3 ↓
Hi High (pH 8-9.5) 1.33 5.16 -12.14 3 4 0 58 283.375 3 ↓

Analogs

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Popular Name: 4-piperidinecarboxylic acid, 1-[(2-methoxy-1-naphthalenyl)methyl]-, hydrazide 4-piperidinecarboxylic acid, 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) 1.34 6.64 -44.58 4 5 1 69 314.409 4 ↓
Hi High (pH 8-9.5) 1.34 4.37 -12.76 3 5 0 68 313.401 4 ↓

Analogs

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Popular Name: 3-piperidinecarboxylic acid, 1-[(2-methoxy-1-naphthalenyl)methyl]-, hydrazide 3-piperidinecarboxylic acid, 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) 1.34 6.6 -36.79 4 5 1 69 314.409 4 ↓
Hi High (pH 8-9.5) 1.34 4.33 -11.61 3 5 0 68 313.401 4 ↓

Analogs

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Popular Name: 3-piperidinecarboxylic acid, 1-[(2-methoxy-1-naphthalenyl)methyl]-, hydrazide 3-piperidinecarboxylic acid, 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) 1.34 6.2 -36.46 4 5 1 69 314.409 4 ↓
Hi High (pH 8-9.5) 1.34 3.96 -11.74 3 5 0 68 313.401 4 ↓

Analogs

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Popular Name: 3-piperidinecarboxylic acid, 1-[(2-methoxy-1-naphthalenyl)methyl]- 3-piperidinecarboxylic acid, 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) 2.93 10.38 -41.97 1 4 0 54 299.37 4 ↓

Analogs

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Popular Name: 3-piperidinecarboxylic acid, 1-[(2-methoxy-1-naphthalenyl)methyl]- 3-piperidinecarboxylic acid, 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) 2.93 9.99 -42.17 1 4 0 54 299.37 4 ↓

Analogs

44512249
44512249

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Popular Name: 4-piperidinemethanamine, N-ethyl-1-[(2-methoxy-1-naphthalenyl)methyl]- 4-piperidinemethanamine, N-ethyl…

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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) 3.49 10.62 -96.27 3 3 2 30 314.473 6 ↓

Analogs

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Popular Name: 3-piperidinemethanamine, N-ethyl-1-[(2-methoxy-1-naphthalenyl)methyl]- 3-piperidinemethanamine, N-ethyl…

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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) 3.49 10.19 -99.52 3 3 2 30 314.473 6 ↓
Mid Mid (pH 6-8) 3.49 7.97 -40.1 2 3 1 29 313.465 6 ↓

Analogs

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Popular Name: 3-piperidinemethanamine, N-ethyl-1-[(2-methoxy-1-naphthalenyl)methyl]- 3-piperidinemethanamine, N-ethyl…

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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) 3.49 10.59 -100.86 3 3 2 30 314.473 6 ↓
Mid Mid (pH 6-8) 3.49 8.35 -40.78 2 3 1 29 313.465 6 ↓

Analogs

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Popular Name: 3-piperidinemethanamine, 1-[(2-methoxy-1-naphthalenyl)methyl]-N-methyl- 3-piperidinemethanamine, 1-[(2-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) 3.47 9.33 -98.87 3 3 2 30 300.446 5 ↓
Mid Mid (pH 6-8) 3.47 7.11 -41.12 2 3 1 29 299.438 5 ↓

Analogs

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Popular Name: 3-piperidinemethanamine, 1-[(2-methoxy-1-naphthalenyl)methyl]-N-methyl- 3-piperidinemethanamine, 1-[(2-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) 3.47 9.73 -100.25 3 3 2 30 300.446 5 ↓
Mid Mid (pH 6-8) 3.47 7.48 -41.67 2 3 1 29 299.438 5 ↓

Analogs

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Popular Name: 4-piperidinemethanol, 1-[(2-methoxy-1-naphthalenyl)methyl]- 4-piperidinemethanol, 1-[(2-meth…

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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) 3.05 6.78 -32 2 3 1 34 286.395 4 ↓

Analogs

42427585
42427585

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Popular Name: N-methyl-2-[1-(1-naphthylmethyl)-4-piperidyl]ethanamine N-methyl-2-[1-(1-naphthylmethyl)…

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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) 3.91 10.96 -94.29 3 2 2 21 284.447 5 ↓

Analogs

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Popular Name: N-methyl-2-[(2S)-1-(1-naphthylmethyl)-2-piperidyl]ethanamine N-methyl-2-[(2S)-1-(1-naphthylme…

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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 8.74 -43.67 2 2 1 20 283.439 5 ↓
Mid Mid (pH 6-8) 3.85 10.41 -110.07 3 2 2 21 284.447 5 ↓

Analogs

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Popular Name: N-methyl-2-[(2R)-1-(1-naphthylmethyl)-2-piperidyl]ethanamine N-methyl-2-[(2R)-1-(1-naphthylme…

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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 8.55 -44.07 2 2 1 20 283.439 5 ↓
Mid Mid (pH 6-8) 3.85 10.76 -110.7 3 2 2 21 284.447 5 ↓

Analogs

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Popular Name: N-[[(3S)-1-[(2-methoxy-1-naphthyl)methyl]-3-piperidyl]methyl]acetamide N-[[(3S)-1-[(2-methoxy-1-naphthy…

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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) 2.83 8.52 -39.55 2 4 1 43 327.448 5 ↓

Analogs

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Popular Name: N-[[(3R)-1-[(2-methoxy-1-naphthyl)methyl]-3-piperidyl]methyl]acetamide N-[[(3R)-1-[(2-methoxy-1-naphthy…

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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) 2.83 8.92 -40.12 2 4 1 43 327.448 5 ↓

Analogs

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Popular Name: N-[2-[(3R)-1-[(2-methyl-1-naphthyl)methyl]-3-piperidyl]ethyl]acetamide N-[2-[(3R)-1-[(2-methyl-1-naphth…

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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) 3.49 10.35 -46.82 2 3 1 34 325.476 5 ↓

Analogs

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Popular Name: N-[2-[(3S)-1-[(2-methyl-1-naphthyl)methyl]-3-piperidyl]ethyl]acetamide N-[2-[(3S)-1-[(2-methyl-1-naphth…

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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) 3.49 10.23 -46.61 2 3 1 34 325.476 5 ↓

Parameters Provided:

ring.id = 47350
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 = 47350 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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