UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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) 2.08 -3.49 -16.37 1 7 0 93 410.536 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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) 2.08 -3.49 -16.01 1 7 0 93 410.536 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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) 2.08 -3.49 -16.64 1 7 0 93 410.536 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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) 2.08 -3.49 -16.17 1 7 0 93 410.536 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-phenyl-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic (2R)-2-phenyl-2-[[(3R)-piperidin…

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 6.33 -70.21 3 5 0 86 276.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-phenyl-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic (2S)-2-phenyl-2-[[(3R)-piperidin…

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 6.33 -72.5 3 5 0 86 276.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic (2R)-2-phenyl-2-[[(3S)-piperidin…

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 6.33 -72.52 3 5 0 86 276.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic (2S)-2-phenyl-2-[[(3S)-piperidin…

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 6.33 -70.18 3 5 0 86 276.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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) 3.00 9.71 -9.42 0 6 0 53 375.513 6 ↓
Lo Low (pH 4.5-6) 3.00 10.49 -23.43 1 6 0 54 376.521 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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) 3.00 9.81 -9.42 0 6 0 53 375.513 6 ↓
Lo Low (pH 4.5-6) 3.00 10.6 -23.29 1 6 0 54 376.521 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-acetyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]piperidine-3-carboxamide (3R)-1-acetyl-N-[(1S)-1-[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) 0.75 3.2 -49.89 1 7 -1 98 366.463 5 ↓
Lo Low (pH 4.5-6) 0.75 3.16 -17.42 2 7 0 96 367.471 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-acetyl-N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]piperidine-3-carboxamide (3R)-1-acetyl-N-[(1R)-1-[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) 0.75 3.19 -50.59 1 7 -1 98 366.463 5 ↓
Lo Low (pH 4.5-6) 0.75 3.16 -17.79 2 7 0 96 367.471 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-acetyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]piperidine-3-carboxamide (3S)-1-acetyl-N-[(1S)-1-[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) 0.75 3.21 -50.98 1 7 -1 98 366.463 5 ↓
Lo Low (pH 4.5-6) 0.75 3.17 -17.6 2 7 0 96 367.471 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-acetyl-N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]piperidine-3-carboxamide (3S)-1-acetyl-N-[(1R)-1-[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) 0.75 3.2 -49.81 1 7 -1 98 366.463 5 ↓
Lo Low (pH 4.5-6) 0.75 3.16 -17.78 2 7 0 96 367.471 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(3-nitrophenyl)methyl]piperidine-3-carboxamide (3R)-N-[(3-nitrophenyl)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) 0.96 5.14 -47.75 3 6 1 92 264.305 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(3-nitrophenyl)methyl]piperidine-3-carboxamide (3S)-N-[(3-nitrophenyl)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) 0.96 5.14 -48.14 3 6 1 92 264.305 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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) 2.93 8.62 -8.92 0 6 0 59 362.47 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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) 2.93 8.73 -9.12 0 6 0 59 362.47 6 ↓

Analogs

55675554
55675554
55675555
55675555

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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) 2.91 8.82 -8.43 0 6 0 59 362.47 6 ↓

Analogs

55675554
55675554
55675555
55675555

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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) 2.91 8.9 -8.44 0 6 0 59 362.47 6 ↓

Analogs

8276558
8276558
8276563
8276563

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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) 2.55 8.52 -11.58 0 7 0 68 392.496 7 ↓

Analogs

8276558
8276558
8276563
8276563

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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) 2.55 8.62 -11.9 0 7 0 68 392.496 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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) 3.05 8.69 -10.11 0 6 0 59 380.46 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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) 3.05 8.8 -10.49 0 6 0 59 380.46 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-N-[(2-fluorophenyl)methyl]-6-methyl-piperidine-3-carboxamide (3R,6R)-N-[(2-fluorophenyl)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) 1.82 5.13 -50.43 3 3 1 46 251.325 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-N-[(2-fluorophenyl)methyl]-6-methyl-piperidine-3-carboxamide (3R,6S)-N-[(2-fluorophenyl)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) 1.82 5.14 -45.54 3 3 1 46 251.325 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R)-N-[(2-fluorophenyl)methyl]-6-methyl-piperidine-3-carboxamide (3S,6R)-N-[(2-fluorophenyl)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) 1.82 5.13 -44.91 3 3 1 46 251.325 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-N-[(2-fluorophenyl)methyl]-6-methyl-piperidine-3-carboxamide (3S,6S)-N-[(2-fluorophenyl)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) 1.82 5.12 -49.99 3 3 1 46 251.325 3 ↓

Analogs

36199742
36199742
36199744
36199744
37823052
37823052
37823053
37823053
44804003
44804003

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-methyl-N-(o-tolylmethyl)piperidine-3-carboxamide (3R)-N-methyl-N-(o-tolylmethyl)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) 1.67 7.37 -44.02 2 3 1 37 247.362 3 ↓

Analogs

36199742
36199742
36199744
36199744
37823052
37823052
37823053
37823053
44804012
44804012

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-methyl-N-(o-tolylmethyl)piperidine-3-carboxamide (3S)-N-methyl-N-(o-tolylmethyl)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) 1.67 7.3 -43.66 2 3 1 37 247.362 3 ↓

Analogs

44804040
44804040
44804043
44804043
44842960
44842960
44842965
44842965

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(2-fluorophenyl)methyl]-N-methyl-piperidine-3-carboxamide (3R)-N-[(2-fluorophenyl)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) 1.39 6.36 -44.05 2 3 1 37 251.325 3 ↓

Analogs

44804040
44804040
44804043
44804043
44842960
44842960
44842965
44842965

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(2-fluorophenyl)methyl]-N-methyl-piperidine-3-carboxamide (3S)-N-[(2-fluorophenyl)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) 1.39 6.27 -42.96 2 3 1 37 251.325 3 ↓

Analogs

44843000
44843000
44843005
44843005

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(4-fluorophenyl)methyl]-N-methyl-piperidine-3-carboxamide (3R)-N-[(4-fluorophenyl)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) 1.43 6.37 -44.18 2 3 1 37 251.325 3 ↓

Analogs

44843000
44843000
44843005
44843005

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(4-fluorophenyl)methyl]-N-methyl-piperidine-3-carboxamide (3S)-N-[(4-fluorophenyl)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) 1.43 6.31 -43.23 2 3 1 37 251.325 3 ↓

Analogs

36754676
36754676

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(4-acetamidophenyl)methyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide (3S)-N-[(4-acetamidophenyl)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) 1.28 5.8 -19.31 2 6 0 79 345.443 5 ↓

Analogs

36754674
36754674

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(4-acetamidophenyl)methyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide (3R)-N-[(4-acetamidophenyl)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) 1.28 5.86 -20.58 2 6 0 79 345.443 5 ↓

Analogs

39695284
39695284
39695285
39695285

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-(4-bromophenyl)propyl]-1-butanoyl-piperidine-3-carboxamide (3S)-N-[(1S)-1-(4-bromophenyl)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) 3.35 9.3 -14.3 1 4 0 49 395.341 6 ↓

Analogs

39695284
39695284
39695285
39695285

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S)-1-(4-bromophenyl)propyl]-1-butanoyl-piperidine-3-carboxamide (3R)-N-[(1S)-1-(4-bromophenyl)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) 3.35 9.31 -13.73 1 4 0 49 395.341 6 ↓

Analogs

39695254
39695254
39695255
39695255
39695284
39695284
39695285
39695285

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-1-(4-bromophenyl)propyl]-1-butanoyl-piperidine-3-carboxamide (3S)-N-[(1R)-1-(4-bromophenyl)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) 3.35 9.3 -13.78 1 4 0 49 395.341 6 ↓

Analogs

39695284
39695284
39695285
39695285

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-1-(4-bromophenyl)propyl]-1-butanoyl-piperidine-3-carboxamide (3R)-N-[(1R)-1-(4-bromophenyl)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) 3.35 9.31 -14.28 1 4 0 49 395.341 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-butanoyl-N-[(2-hydroxy-5-nitro-phenyl)methyl]piperidine-3-carboxamide (3S)-1-butanoyl-N-[(2-hydroxy-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) 2.25 5.08 -21.27 2 8 0 115 349.387 6 ↓
Mid Mid (pH 6-8) 2.25 5.84 -39.59 1 8 -1 118 348.379 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-butanoyl-N-[(2-hydroxy-5-nitro-phenyl)methyl]piperidine-3-carboxamide (3R)-1-butanoyl-N-[(2-hydroxy-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) 2.25 5.09 -19.71 2 8 0 115 349.387 6 ↓
Mid Mid (pH 6-8) 2.25 5.85 -41.85 1 8 -1 118 348.379 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-butanoyl-N-[(1S)-1-(3-fluoro-4-methoxy-phenyl)ethyl]piperidine-3-carboxamide (3S)-1-butanoyl-N-[(1S)-1-(3-flu…

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) 3.09 7.42 -19.48 1 5 0 59 350.434 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-butanoyl-N-[(1S)-1-(3-fluoro-4-methoxy-phenyl)ethyl]piperidine-3-carboxamide (3R)-1-butanoyl-N-[(1S)-1-(3-flu…

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) 3.09 7.43 -18.63 1 5 0 59 350.434 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-butanoyl-N-[(1R)-1-(3-fluoro-4-methoxy-phenyl)ethyl]piperidine-3-carboxamide (3S)-1-butanoyl-N-[(1R)-1-(3-flu…

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) 3.09 7.42 -18.65 1 5 0 59 350.434 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-butanoyl-N-[(1R)-1-(3-fluoro-4-methoxy-phenyl)ethyl]piperidine-3-carboxamide (3R)-1-butanoyl-N-[(1R)-1-(3-flu…

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) 3.09 7.43 -19.42 1 5 0 59 350.434 6 ↓

Analogs

8134388
8134388
8134390
8134390

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2,2-dimethylpropanoyl)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]piperidine-3-carboxamide (3S)-1-(2,2-dimethylpropanoyl)-N…

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) 1.98 4.16 -17.71 2 6 0 79 348.443 5 ↓

Analogs

8134388
8134388
8134390
8134390

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2,2-dimethylpropanoyl)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]piperidine-3-carboxamide (3R)-1-(2,2-dimethylpropanoyl)-N…

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) 1.98 4.23 -17.43 2 6 0 79 348.443 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(3-ethoxyphenyl)methyl]-1-ethylsulfonyl-piperidine-3-carboxamide (3S)-N-[(3-ethoxyphenyl)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) 1.78 4.41 -13.59 1 6 0 76 354.472 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoyl-piperidine-3-carboxamide (3S)-N-[[3-[[ethyl(methyl)amino]…

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) 1.98 9 -41.42 2 5 1 54 346.495 7 ↓
Hi High (pH 8-9.5) 1.98 6.67 -10.56 1 5 0 53 345.487 7 ↓

Parameters Provided:

ring.id = 10475
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 = 10475 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=10475&filter.purchasability=annotated

Embed Link to Results