UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-morpholino-4-pyrimidinyl)methanamine (2-morpholino-4-pyrimidinyl)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) 0.24 2.67 -48.51 3 5 1 66 195.246 2 ↓
Mid Mid (pH 6-8) 0.24 2.26 -6.32 2 5 0 64 194.238 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-(2-morpholinopyrimidin-4-yl)methanamine N-methyl-1-(2-morpholinopyrimidi…

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) 0.62 4.54 -42.94 2 5 1 55 209.273 3 ↓
Mid Mid (pH 6-8) 0.62 3.09 -5.95 1 5 0 50 208.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-morpholinopyrimidin-4-yl)methyl]ethanamine N-[(2-morpholinopyrimidin-4-yl)m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.99 5.4 -42.06 2 5 1 55 223.3 4 ↓
Mid Mid (pH 6-8) 0.99 4.02 -5.74 1 5 0 50 222.292 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-morpholinopyrimidin-4-yl)methyl]propan-1-amine N-[(2-morpholinopyrimidin-4-yl)m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.49 6.14 -42.89 2 5 1 55 237.327 5 ↓
Hi High (pH 8-9.5) 1.49 4.78 -5.62 1 5 0 50 236.319 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-morpholinopyrimidin-4-yl)methyl]propan-2-amine N-[(2-morpholinopyrimidin-4-yl)m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.29 5.92 -40.13 2 5 1 55 237.327 4 ↓
Hi High (pH 8-9.5) 1.29 4.72 -5.53 1 5 0 50 236.319 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(2-morpholinopyrimidin-4-yl)methyl]propan-2-amine 2-methyl-N-[(2-morpholinopyrimid…

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) 1.80 6.36 -38.41 2 5 1 55 251.354 4 ↓
Hi High (pH 8-9.5) 1.80 5.11 -5.42 1 5 0 50 250.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(2-morpholinopyrimidin-4-yl)methyl]propan-1-amine 2-methyl-N-[(2-morpholinopyrimid…

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) 1.74 6.84 -42.99 2 5 1 55 251.354 5 ↓
Hi High (pH 8-9.5) 1.74 5.47 -5.52 1 5 0 50 250.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(2-morpholinopyrimidin-4-yl)methyl]ethanamine 2-methoxy-N-[(2-morpholinopyrimi…

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) 0.60 3.17 -7.3 1 6 0 60 252.318 6 ↓
Mid Mid (pH 6-8) 0.60 4.52 -43.1 2 6 1 64 253.326 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-morpholinopyrimidine-4-carboxylic 2-morpholinopyrimidine-4-carboxylic

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) 0.63 5.25 -48.62 0 6 -1 78 208.197 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-morpholinopyrimidin-4-yl)methanol (2-morpholinopyrimidin-4-yl)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) 0.40 2.12 -7.55 1 5 0 58 195.222 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(chloromethyl)pyrimidin-2-yl]morpholine 4-[4-(chloromethyl)pyrimidin-2-y…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.63 5.89 -7.04 0 4 0 38 213.668 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-2-morpholino-pyrimidine-4-carbaldehyde 6-methyl-2-morpholino-pyrimidine…

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 -13.13 0 5 0 55 207.233 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-(6-methyl-2-morpholino-pyrimidin-4-yl)methanamine N-methyl-1-(6-methyl-2-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) 1.05 5.14 -42.99 2 5 1 55 223.3 3 ↓
Mid Mid (pH 6-8) 1.05 3.69 -7.09 1 5 0 50 222.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6-methyl-2-morpholino-pyrimidin-4-yl)methyl]ethanamine N-[(6-methyl-2-morpholino-pyrimi…

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 -42.11 2 5 1 55 237.327 4 ↓
Hi High (pH 8-9.5) 1.43 4.62 -5.9 1 5 0 50 236.319 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6-methyl-2-morpholino-pyrimidin-4-yl)methyl]propan-1-amine N-[(6-methyl-2-morpholino-pyrimi…

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 6.74 -42.9 2 5 1 55 251.354 5 ↓
Hi High (pH 8-9.5) 1.93 5.39 -5.82 1 5 0 50 250.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6-methyl-2-morpholino-pyrimidin-4-yl)methyl]propan-2-amine N-[(6-methyl-2-morpholino-pyrimi…

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) 1.73 6.52 -40.57 2 5 1 55 251.354 4 ↓
Hi High (pH 8-9.5) 1.73 5.3 -6.74 1 5 0 50 250.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(6-methyl-2-morpholino-pyrimidin-4-yl)methyl]propan-2-amine 2-methyl-N-[(6-methyl-2-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) 2.24 6.95 -38.33 2 5 1 55 265.381 4 ↓
Hi High (pH 8-9.5) 2.24 5.71 -6.51 1 5 0 50 264.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(6-methyl-2-morpholino-pyrimidin-4-yl)methyl]propan-1-amine 2-methyl-N-[(6-methyl-2-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) 2.18 7.44 -42.65 2 5 1 55 265.381 5 ↓
Hi High (pH 8-9.5) 2.18 6.07 -6.62 1 5 0 50 264.373 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(6-methyl-2-morpholino-pyrimidin-4-yl)methyl]ethanamine 2-methoxy-N-[(6-methyl-2-morphol…

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) 1.04 3.71 -9.11 1 6 0 60 266.345 6 ↓
Mid Mid (pH 6-8) 1.04 5.13 -43.03 2 6 1 64 267.353 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(chloromethyl)-6-methyl-pyrimidin-2-yl]morpholine 4-[4-(chloromethyl)-6-methyl-pyr…

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) 2.07 6.49 -7.13 0 4 0 38 227.695 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-morpholinopyrimidin-4-yl)ethanamine 2-(2-morpholinopyrimidin-4-yl)et…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.04 3.48 -49.4 3 5 1 66 209.273 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(2-morpholinopyrimidin-4-yl)propan-2-amine (2S)-1-(2-morpholinopyrimidin-4-…

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) 0.44 4.85 -39.93 3 5 1 66 223.3 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(2-morpholinopyrimidin-4-yl)propan-2-amine (2R)-1-(2-morpholinopyrimidin-4-…

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) 0.44 4.12 -43.19 3 5 1 66 223.3 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(2-morpholinopyrimidin-4-yl)butan-2-amine (2S)-1-(2-morpholinopyrimidin-4-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.98 5.67 -39.71 3 5 1 66 237.327 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(2-morpholinopyrimidin-4-yl)butan-2-amine (2R)-1-(2-morpholinopyrimidin-4-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.98 4.92 -43.05 3 5 1 66 237.327 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(6-methyl-2-morpholino-pyrimidin-4-yl)propan-2-amine (2R)-1-(6-methyl-2-morpholino-py…

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) 0.88 4.72 -43.1 3 5 1 66 237.327 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(6-methyl-2-morpholino-pyrimidin-4-yl)propan-2-amine (2S)-1-(6-methyl-2-morpholino-py…

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) 0.88 5.46 -39.95 3 5 1 66 237.327 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(6-methyl-2-morpholino-pyrimidin-4-yl)butan-2-amine (2S)-1-(6-methyl-2-morpholino-py…

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 6.26 -39.74 3 5 1 66 251.354 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(6-methyl-2-morpholino-pyrimidin-4-yl)butan-2-amine (2R)-1-(6-methyl-2-morpholino-py…

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 5.52 -43.06 3 5 1 66 251.354 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethyl-2-morpholino-pyrimidine-5-carboxylic 4,6-dimethyl-2-morpholino-pyrimi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.98 6.51 -46.21 0 6 -1 78 236.251 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4,6-dimethyl-2-morpholino-pyrimidin-5-yl)-N-methyl-propan-1-amine 3-(4,6-dimethyl-2-morpholino-pyr…

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) 1.89 7.13 -47.55 2 5 1 55 265.381 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4,6-dimethyl-2-morpholino-pyrimidin-5-yl)-N-ethyl-propan-1-amine 3-(4,6-dimethyl-2-morpholino-pyr…

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) 1.92 7.93 -47.17 2 5 1 55 279.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4,6-dimethyl-2-morpholino-pyrimidin-5-yl)-N-propyl-propan-1-amine 3-(4,6-dimethyl-2-morpholino-pyr…

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) 2.42 8.69 -48.21 2 5 1 55 293.435 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4,6-dimethyl-2-morpholino-pyrimidin-5-yl)-N-isopropyl-propan-1-amine 3-(4,6-dimethyl-2-morpholino-pyr…

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) 2.56 8.51 -45.95 2 5 1 55 293.435 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4,6-dimethyl-2-morpholino-pyrimidin-5-yl)-N-methyl-ethanamine 2-(4,6-dimethyl-2-morpholino-pyr…

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 6.34 -49.35 2 5 1 55 251.354 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4,6-dimethyl-2-morpholino-pyrimidin-5-yl)-N-ethyl-ethanamine 2-(4,6-dimethyl-2-morpholino-pyr…

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) 1.40 7.16 -48.5 2 5 1 55 265.381 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4,6-dimethyl-2-morpholino-pyrimidin-5-yl)ethyl]propan-1-amine N-[2-(4,6-dimethyl-2-morpholino-…

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) 1.90 7.91 -49.67 2 5 1 55 279.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4,6-dimethyl-2-morpholino-pyrimidin-5-yl)ethyl]propan-2-amine N-[2-(4,6-dimethyl-2-morpholino-…

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) 2.04 7.72 -47.3 2 5 1 55 279.408 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4,6-dimethyl-2-morpholino-pyrimidin-5-yl)ethyl]-2-methyl-propan-2-amine N-[2-(4,6-dimethyl-2-morpholino-…

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) 2.56 8.14 -46.07 2 5 1 55 293.435 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4,6-dimethyl-2-morpholino-pyrimidin-5-yl)ethyl]-2-methyl-propan-1-amine N-[2-(4,6-dimethyl-2-morpholino-…

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) 2.14 8.62 -49.44 2 5 1 55 293.435 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4,6-dimethyl-2-morpholino-pyrimidin-5-yl)-N-(2-methoxyethyl)ethanamine 2-(4,6-dimethyl-2-morpholino-pyr…

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) 1.00 6.32 -48.07 2 6 1 64 295.407 7 ↓
Hi High (pH 8-9.5) 1.00 4.92 -8.2 1 6 0 60 294.399 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4,6-dimethyl-2-morpholino-pyrimidin-5-yl)-N-methyl-methanamine 1-(4,6-dimethyl-2-morpholino-pyr…

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) 0.97 5.54 -46.02 2 5 1 55 237.327 3 ↓
Mid Mid (pH 6-8) 0.97 4.09 -6.58 1 5 0 50 236.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4,6-dimethyl-2-morpholino-pyrimidin-5-yl)methyl]ethanamine N-[(4,6-dimethyl-2-morpholino-py…

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) 1.34 6.43 -44.97 2 5 1 55 251.354 4 ↓
Mid Mid (pH 6-8) 1.34 5.02 -6.33 1 5 0 50 250.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4,6-dimethyl-2-morpholino-pyrimidin-5-yl)methyl]propan-1-amine N-[(4,6-dimethyl-2-morpholino-py…

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) 1.84 7.18 -45.82 2 5 1 55 265.381 5 ↓
Mid Mid (pH 6-8) 1.84 5.78 -6.28 1 5 0 50 264.373 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4,6-dimethyl-2-morpholino-pyrimidin-5-yl)methyl]propan-2-amine N-[(4,6-dimethyl-2-morpholino-py…

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) 1.64 6.91 -43.16 2 5 1 55 265.381 4 ↓
Mid Mid (pH 6-8) 1.64 5.7 -6.21 1 5 0 50 264.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4,6-dimethyl-2-morpholino-pyrimidin-5-yl)methyl]-2-methyl-propan-2-amine N-[(4,6-dimethyl-2-morpholino-py…

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) 2.15 7.31 -41.12 2 5 1 55 279.408 4 ↓
Hi High (pH 8-9.5) 2.15 6.11 -6.03 1 5 0 50 278.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4,6-dimethyl-2-morpholino-pyrimidin-5-yl)methyl]-2-methyl-propan-1-amine N-[(4,6-dimethyl-2-morpholino-py…

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) 2.09 7.84 -45.85 2 5 1 55 279.408 5 ↓
Mid Mid (pH 6-8) 2.09 6.47 -6.14 1 5 0 50 278.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4,6-dimethyl-2-morpholino-pyrimidin-5-yl)methyl]-2-methoxy-ethanamine N-[(4,6-dimethyl-2-morpholino-py…

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) 0.95 4.1 -8.2 1 6 0 60 280.372 6 ↓
Mid Mid (pH 6-8) 0.95 5.53 -45.44 2 6 1 64 281.38 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4,6-dimethyl-2-morpholino-pyrimidin-5-yl)-N-ethyl-propan-1-amine (2S)-2-(4,6-dimethyl-2-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) 1.72 7.45 -47.47 2 5 1 55 279.408 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4,6-dimethyl-2-morpholino-pyrimidin-5-yl)-N-ethyl-propan-1-amine (2R)-2-(4,6-dimethyl-2-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) 1.72 7.46 -47.41 2 5 1 55 279.408 5 ↓

Parameters Provided:

ring.id = 154679
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 = 154679 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=154679&filter.purchasability=annotated

Embed Link to Results