UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(3S)-3-morpholinopyrrolidin-1-yl]methyl]phenyl]methanamine [3-[[(3S)-3-morpholinopyrrolidin…

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 3.96 -103.87 4 4 2 45 277.412 4 ↓
Hi High (pH 8-9.5) 0.90 1.44 -46.93 3 4 1 43 276.404 4 ↓
Hi High (pH 8-9.5) 0.90 3.55 -36.88 3 4 1 43 276.404 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(3R)-3-morpholinopyrrolidin-1-yl]methyl]phenyl]methanamine [3-[[(3R)-3-morpholinopyrrolidin…

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 3.86 -104.31 4 4 2 45 277.412 4 ↓
Hi High (pH 8-9.5) 0.90 3.45 -36.9 3 4 1 43 276.404 4 ↓
Hi High (pH 8-9.5) 0.90 1.52 -47.27 3 4 1 43 276.404 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-2-phenyl-ethanamine (2S)-2-[(3S)-3-morpholinopyrroli…

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) 0.72 1.71 -45.26 3 4 1 43 276.404 4 ↓
Mid Mid (pH 6-8) 0.72 3.91 -97.51 4 4 2 45 277.412 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-2-phenyl-ethanamine (2R)-2-[(3S)-3-morpholinopyrroli…

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) 0.72 1.37 -46.03 3 4 1 43 276.404 4 ↓
Mid Mid (pH 6-8) 0.72 3.58 -96.55 4 4 2 45 277.412 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(3S)-3-morpholinopyrrolidin-1-yl]methyl]phenyl]methanamine [4-[[(3S)-3-morpholinopyrrolidin…

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) 0.92 3.96 -93.65 4 4 2 45 277.412 4 ↓
Hi High (pH 8-9.5) 0.92 3.56 -38.57 3 4 1 43 276.404 4 ↓
Hi High (pH 8-9.5) 0.92 1.51 -45.33 3 4 1 43 276.404 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(3R)-3-morpholinopyrrolidin-1-yl]methyl]phenyl]methanamine [4-[[(3R)-3-morpholinopyrrolidin…

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) 0.92 3.95 -93.86 4 4 2 45 277.412 4 ↓
Hi High (pH 8-9.5) 0.92 3.55 -38.67 3 4 1 43 276.404 4 ↓
Hi High (pH 8-9.5) 0.92 1.51 -45.28 3 4 1 43 276.404 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[3-[[(3S)-3-morpholinopyrrolidin-1-yl]methyl]phenyl]methanamine N-methyl-1-[3-[[(3S)-3-morpholin…

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 5.82 -97.73 3 4 2 34 291.439 5 ↓
Hi High (pH 8-9.5) 1.27 3.31 -39.21 2 4 1 32 290.431 5 ↓
Hi High (pH 8-9.5) 1.27 4.38 -37.16 2 4 1 29 290.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[3-[[(3R)-3-morpholinopyrrolidin-1-yl]methyl]phenyl]methanamine N-methyl-1-[3-[[(3R)-3-morpholin…

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 5.72 -97.93 3 4 2 34 291.439 5 ↓
Hi High (pH 8-9.5) 1.27 3.39 -39.07 2 4 1 32 290.431 5 ↓
Hi High (pH 8-9.5) 1.27 4.28 -37.29 2 4 1 29 290.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[2-[[(3S)-3-morpholinopyrrolidin-1-yl]methyl]phenyl]methanamine N-methyl-1-[2-[[(3S)-3-morpholin…

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) 1.25 5.78 -111.28 3 4 2 34 291.439 5 ↓
Hi High (pH 8-9.5) 1.25 5.48 -31.9 2 4 1 29 290.431 5 ↓
Hi High (pH 8-9.5) 1.25 5.16 -36.78 2 4 1 32 290.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[2-[[(3R)-3-morpholinopyrrolidin-1-yl]methyl]phenyl]methanamine N-methyl-1-[2-[[(3R)-3-morpholin…

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) 1.25 5.69 -111.85 3 4 2 34 291.439 5 ↓
Hi High (pH 8-9.5) 1.25 5.43 -32 2 4 1 29 290.431 5 ↓
Hi High (pH 8-9.5) 1.25 5.27 -36.25 2 4 1 32 290.431 5 ↓

Analogs

44694019
44694019
44694021
44694021

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[4-[[(3S)-3-morpholinopyrrolidin-1-yl]methyl]phenyl]methanamine N-methyl-1-[4-[[(3S)-3-morpholin…

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) 1.29 5.83 -90.56 3 4 2 34 291.439 5 ↓
Hi High (pH 8-9.5) 1.29 4.39 -38.45 2 4 1 29 290.431 5 ↓
Hi High (pH 8-9.5) 1.29 3.39 -39.96 2 4 1 32 290.431 5 ↓

Analogs

44690657
44690657
44690658
44690658
44690660
44690660
44690661
44690661
44694019
44694019

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[4-[[(3R)-3-morpholinopyrrolidin-1-yl]methyl]phenyl]methanamine N-methyl-1-[4-[[(3R)-3-morpholin…

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) 1.29 5.83 -91.05 3 4 2 34 291.439 5 ↓
Hi High (pH 8-9.5) 1.29 3.38 -39.85 2 4 1 32 290.431 5 ↓
Hi High (pH 8-9.5) 1.29 4.38 -38.57 2 4 1 29 290.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-methyl-2-[(3S)-3-morpholinopyrrolidin-1-yl]-2-phenyl-ethanamine (2R)-N-methyl-2-[(3S)-3-morpholi…

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 3.25 -40.78 2 4 1 32 290.431 5 ↓
Mid Mid (pH 6-8) 1.70 5.46 -91.73 3 4 2 34 291.439 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-methyl-2-[(3S)-3-morpholinopyrrolidin-1-yl]-2-phenyl-ethanamine (2S)-N-methyl-2-[(3S)-3-morpholi…

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 3.29 -41.03 2 4 1 32 290.431 5 ↓
Mid Mid (pH 6-8) 1.70 5.49 -95.75 3 4 2 34 291.439 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[(3S)-3-morpholinopyrrolidin-1-yl]methyl]phenyl]methanamine [2-[[(3S)-3-morpholinopyrrolidin…

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) 0.87 3.92 -117.31 4 4 2 45 277.412 4 ↓
Hi High (pH 8-9.5) 0.87 3.52 -39.96 3 4 1 43 276.404 4 ↓
Hi High (pH 8-9.5) 0.87 3.25 -41.69 3 4 1 43 276.404 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[(3R)-3-morpholinopyrrolidin-1-yl]methyl]phenyl]methanamine [2-[[(3R)-3-morpholinopyrrolidin…

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) 0.87 3.85 -117.91 4 4 2 45 277.412 4 ↓
Hi High (pH 8-9.5) 0.87 3.37 -41.22 3 4 1 43 276.404 4 ↓
Hi High (pH 8-9.5) 0.87 3.44 -40.21 3 4 1 43 276.404 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-3-[[(3S)-3-morpholinopyrrolidin-1-yl]methyl]aniline 4-methoxy-3-[[(3S)-3-morpholinop…

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) 0.80 3.1 -34.23 3 5 1 52 292.403 4 ↓
Hi High (pH 8-9.5) 0.80 0.54 -4.87 2 5 0 51 291.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-3-[[(3R)-3-morpholinopyrrolidin-1-yl]methyl]aniline 4-methoxy-3-[[(3R)-3-morpholinop…

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) 0.80 3.24 -33.63 3 5 1 52 292.403 4 ↓
Hi High (pH 8-9.5) 0.80 0.96 -5.19 2 5 0 51 291.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-3-morpholinopyrrolidin-1-yl]methyl]aniline 2-[[(3S)-3-morpholinopyrrolidin-…

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) 1.17 3.83 -37.31 3 4 1 43 262.377 3 ↓
Hi High (pH 8-9.5) 1.17 1.25 -3.51 2 4 0 42 261.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-3-morpholinopyrrolidin-1-yl]methyl]aniline 2-[[(3R)-3-morpholinopyrrolidin-…

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) 1.17 4.04 -36.89 3 4 1 43 262.377 3 ↓
Hi High (pH 8-9.5) 1.17 1.61 -3.7 2 4 0 42 261.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-5-[[(3S)-3-morpholinopyrrolidin-1-yl]methyl]aniline 2-methoxy-5-[[(3S)-3-morpholinop…

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) 1.20 3.21 -39.47 3 5 1 52 292.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-5-[[(3R)-3-morpholinopyrrolidin-1-yl]methyl]aniline 2-methoxy-5-[[(3R)-3-morpholinop…

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) 1.20 3.11 -39.63 3 5 1 52 292.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-2-[[(3S)-3-morpholinopyrrolidin-1-yl]methyl]aniline 4-fluoro-2-[[(3S)-3-morpholinopy…

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 4.13 -40.93 3 4 1 43 280.367 3 ↓
Hi High (pH 8-9.5) 1.31 1.54 -4.82 2 4 0 42 279.359 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-2-[[(3R)-3-morpholinopyrrolidin-1-yl]methyl]aniline 4-fluoro-2-[[(3R)-3-morpholinopy…

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 4.11 -40.88 3 4 1 43 280.367 3 ↓
Hi High (pH 8-9.5) 1.31 1.67 -4.79 2 4 0 42 279.359 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-[[(3S)-3-morpholinopyrrolidin-1-yl]methyl]aniline 3-bromo-2-[[(3S)-3-morpholinopyr…

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) 1.93 4.31 -33.56 3 4 1 43 341.273 3 ↓
Hi High (pH 8-9.5) 1.93 1.75 -4.15 2 4 0 42 340.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-[[(3R)-3-morpholinopyrrolidin-1-yl]methyl]aniline 3-bromo-2-[[(3R)-3-morpholinopyr…

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) 1.93 4.55 -33.12 3 4 1 43 341.273 3 ↓
Hi High (pH 8-9.5) 1.93 2.17 -4.67 2 4 0 42 340.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[[(3S)-3-morpholinopyrrolidin-1-yl]methyl]aniline 2-chloro-5-[[(3S)-3-morpholinopy…

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 4.36 -41.36 3 4 1 43 296.822 3 ↓
Hi High (pH 8-9.5) 1.82 1.86 -3.93 2 4 0 42 295.814 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[[(3R)-3-morpholinopyrrolidin-1-yl]methyl]aniline 2-chloro-5-[[(3R)-3-morpholinopy…

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 4.26 -41.46 3 4 1 43 296.822 3 ↓
Hi High (pH 8-9.5) 1.82 1.93 -4.03 2 4 0 42 295.814 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[[(3S)-3-morpholinopyrrolidin-1-yl]methyl]aniline 4-chloro-3-[[(3S)-3-morpholinopy…

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) 1.42 4.11 -34.39 3 4 1 43 296.822 3 ↓
Hi High (pH 8-9.5) 1.42 1.6 -4.21 2 4 0 42 295.814 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[[(3R)-3-morpholinopyrrolidin-1-yl]methyl]aniline 4-chloro-3-[[(3R)-3-morpholinopy…

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) 1.42 4.31 -34.07 3 4 1 43 296.822 3 ↓
Hi High (pH 8-9.5) 1.42 1.94 -4.69 2 4 0 42 295.814 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[[(3S)-3-morpholinopyrrolidin-1-yl]methyl]phenol 4-amino-2-[[(3S)-3-morpholinopyr…

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) 0.73 1.14 -35.61 4 5 1 63 278.376 3 ↓
Hi High (pH 8-9.5) 0.73 -1.49 -5.98 3 5 0 62 277.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[[(3R)-3-morpholinopyrrolidin-1-yl]methyl]phenol 4-amino-2-[[(3R)-3-morpholinopyr…

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) 0.73 1.09 -35.78 4 5 1 63 278.376 3 ↓
Hi High (pH 8-9.5) 0.73 -1.38 -6.14 3 5 0 62 277.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-[[(3S)-3-morpholinopyrrolidin-1-yl]methyl]phenol 2-amino-4-[[(3S)-3-morpholinopyr…

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) 0.93 1.05 -40.21 4 5 1 63 278.376 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-[[(3R)-3-morpholinopyrrolidin-1-yl]methyl]phenol 2-amino-4-[[(3R)-3-morpholinopyr…

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) 0.93 0.94 -40.31 4 5 1 63 278.376 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-3-[[(3S)-3-morpholinopyrrolidin-1-yl]methyl]aniline 2-methyl-3-[[(3S)-3-morpholinopy…

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) 1.57 4.35 -37.23 3 4 1 43 276.404 3 ↓
Hi High (pH 8-9.5) 1.57 2.33 -3.8 2 4 0 42 275.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-3-[[(3R)-3-morpholinopyrrolidin-1-yl]methyl]aniline 2-methyl-3-[[(3R)-3-morpholinopy…

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) 1.57 4.53 -36.83 3 4 1 43 276.404 3 ↓
Hi High (pH 8-9.5) 1.57 2.7 -4.08 2 4 0 42 275.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-4-[[(3S)-3-morpholinopyrrolidin-1-yl]methyl]aniline 3-bromo-4-[[(3S)-3-morpholinopyr…

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) 1.55 4.45 -33.3 3 4 1 43 341.273 3 ↓
Hi High (pH 8-9.5) 1.55 2.01 -4.43 2 4 0 42 340.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-4-[[(3R)-3-morpholinopyrrolidin-1-yl]methyl]aniline 3-bromo-4-[[(3R)-3-morpholinopyr…

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) 1.55 4.41 -33.47 3 4 1 43 341.273 3 ↓
Hi High (pH 8-9.5) 1.55 2.13 -4.49 2 4 0 42 340.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[[(3S)-3-morpholinopyrrolidin-1-yl]methyl]aniline 5-chloro-2-[[(3S)-3-morpholinopy…

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 4.33 -41.8 3 4 1 43 296.822 3 ↓
Hi High (pH 8-9.5) 1.82 1.86 -3.73 2 4 0 42 295.814 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[[(3R)-3-morpholinopyrrolidin-1-yl]methyl]aniline 5-chloro-2-[[(3R)-3-morpholinopy…

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 4.53 -41.42 3 4 1 43 296.822 3 ↓
Hi High (pH 8-9.5) 1.82 2.23 -3.96 2 4 0 42 295.814 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-[(3S)-3-morpholinopyrrolidin-1-yl]ethyl]aniline 4-[(1S)-1-[(3S)-3-morpholinopyrr…

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) 1.37 4.43 -34.67 3 4 1 43 276.404 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-[(3S)-3-morpholinopyrrolidin-1-yl]ethyl]aniline 4-[(1R)-1-[(3S)-3-morpholinopyrr…

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) 1.37 4.41 -34.72 3 4 1 43 276.404 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S)-1-[(3S)-3-morpholinopyrrolidin-1-yl]ethyl]aniline 3-[(1S)-1-[(3S)-3-morpholinopyrr…

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) 1.35 4.43 -34.97 3 4 1 43 276.404 3 ↓
Hi High (pH 8-9.5) 1.35 2.27 -3.97 2 4 0 42 275.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R)-1-[(3S)-3-morpholinopyrrolidin-1-yl]ethyl]aniline 3-[(1R)-1-[(3S)-3-morpholinopyrr…

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) 1.35 4.41 -34.99 3 4 1 43 276.404 3 ↓
Hi High (pH 8-9.5) 1.35 2.12 -3.86 2 4 0 42 275.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-2-(m-tolyl)ethanamine (2S)-2-[(3S)-3-morpholinopyrroli…

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) 1.15 2.46 -45.96 3 4 1 43 290.431 4 ↓
Mid Mid (pH 6-8) 1.15 4.66 -103.32 4 4 2 45 291.439 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-2-(m-tolyl)ethanamine (2R)-2-[(3S)-3-morpholinopyrroli…

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) 1.15 2.4 -45.58 3 4 1 43 290.431 4 ↓
Mid Mid (pH 6-8) 1.15 4.61 -105.1 4 4 2 45 291.439 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-[(3S)-3-morpholinopyrrolidin-1-yl]-1-phenyl-propan-2-amine (1R,2S)-1-[(3S)-3-morpholinopyrr…

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) 1.13 1.8 -42.03 3 4 1 43 290.431 4 ↓
Mid Mid (pH 6-8) 1.13 4.01 -90.34 4 4 2 45 291.439 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-[(3S)-3-morpholinopyrrolidin-1-yl]-1-phenyl-propan-2-amine (1R,2R)-1-[(3S)-3-morpholinopyrr…

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) 1.13 1.65 -44.05 3 4 1 43 290.431 4 ↓
Mid Mid (pH 6-8) 1.13 3.86 -95.07 4 4 2 45 291.439 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-[(3S)-3-morpholinopyrrolidin-1-yl]-1-phenyl-propan-2-amine (1S,2S)-1-[(3S)-3-morpholinopyrr…

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) 1.13 2.23 -44.89 3 4 1 43 290.431 4 ↓
Mid Mid (pH 6-8) 1.13 4.44 -112.11 4 4 2 45 291.439 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-[(3S)-3-morpholinopyrrolidin-1-yl]-1-phenyl-propan-2-amine (1S,2R)-1-[(3S)-3-morpholinopyrr…

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) 1.13 1.89 -42.34 3 4 1 43 290.431 4 ↓
Mid Mid (pH 6-8) 1.13 4.09 -91.57 4 4 2 45 291.439 4 ↓

Parameters Provided:

ring.id = 324037
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 = 324037 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=324037&filter.purchasability=annotated

Embed Link to Results