UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide 1-(6-chloropyrimidin-4-yl)pyrrol…

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) 0.94 2.31 -13.32 2 5 0 72 226.667 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide 1-(6-chloropyrimidin-4-yl)pyrrol…

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) 0.94 2.38 -12.77 2 5 0 72 226.667 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-[(2R)-2-methylpyrrolidin-1-yl]pyrimidine 4-chloro-6-[(2R)-2-methylpyrroli…

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) 1.99 6.28 -4.89 0 3 0 29 197.669 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-[(2S)-2-methylpyrrolidin-1-yl]pyrimidine 4-chloro-6-[(2S)-2-methylpyrroli…

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) 1.99 6.28 -4.87 0 3 0 29 197.669 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-[(2R)-2-ethylpyrrolidin-1-yl]pyrimidine 4-chloro-6-[(2R)-2-ethylpyrrolid…

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) 2.53 6.95 -4.72 0 3 0 29 211.696 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-[(2S)-2-ethylpyrrolidin-1-yl]pyrimidine 4-chloro-6-[(2S)-2-ethylpyrrolid…

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) 2.53 6.96 -4.74 0 3 0 29 211.696 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-[(3R)-3-methylpyrrolidin-1-yl]pyrimidine 4-chloro-6-[(3R)-3-methylpyrroli…

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 6.38 -4.77 0 3 0 29 197.669 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-[(3S)-3-methylpyrrolidin-1-yl]pyrimidine 4-chloro-6-[(3S)-3-methylpyrroli…

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 6.36 -4.96 0 3 0 29 197.669 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(2-chloro-6-methyl-pyrimidin-4-yl)pyrrolidine-2-carboxamide (2R)-1-(2-chloro-6-methyl-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) 1.36 2.29 -15.07 2 5 0 72 240.694 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(2-chloro-6-methyl-pyrimidin-4-yl)pyrrolidine-2-carboxamide (2S)-1-(2-chloro-6-methyl-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) 1.36 2.38 -13.93 2 5 0 72 240.694 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-methyl-6-[(2S)-2-methylpyrrolidin-1-yl]pyrimidine 2-chloro-4-methyl-6-[(2S)-2-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) 2.41 6.28 -6.72 0 3 0 29 211.696 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyrimidine 2-chloro-4-methyl-6-[(2R)-2-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) 2.41 6.29 -6.71 0 3 0 29 211.696 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-[(2R)-2-ethylpyrrolidin-1-yl]-6-methyl-pyrimidine 2-chloro-4-[(2R)-2-ethylpyrrolid…

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) 2.94 6.93 -6.51 0 3 0 29 225.723 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-[(2S)-2-ethylpyrrolidin-1-yl]-6-methyl-pyrimidine 2-chloro-4-[(2S)-2-ethylpyrrolid…

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) 2.94 6.94 -6.48 0 3 0 29 225.723 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]pyrimidine 2-chloro-4-methyl-6-[(3S)-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) 2.56 6.34 -6.7 0 3 0 29 211.696 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-methyl-6-[(3R)-3-methylpyrrolidin-1-yl]pyrimidine 2-chloro-4-methyl-6-[(3R)-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) 2.56 6.37 -6.45 0 3 0 29 211.696 1 ↓

Analogs

53128390
53128390
53128432
53128432
53128533
53128533
53128536
53128536
53128539
53128539

Draw Identity 99% 90% 80% 70%

Popular Name: (1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-yl)methanol (1-(2-chloro-6-methylpyrimidin-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) 1.43 3.06 -9 1 4 0 49 227.695 2 ↓

Analogs

53128390
53128390
53128432
53128432
53128533
53128533
53128536
53128536
53128539
53128539

Draw Identity 99% 90% 80% 70%

Popular Name: (1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-yl)methanol (1-(2-chloro-6-methylpyrimidin-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) 1.43 3.06 -9.12 1 4 0 49 227.695 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(2-chloro-6-methyl-pyrimidin-4-yl)-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(2-chloro-6-methyl-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) 1.17 3.8 -14.95 1 5 0 58 254.721 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(2-chloro-6-methyl-pyrimidin-4-yl)-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(2-chloro-6-methyl-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) 1.17 3.93 -13.8 1 5 0 58 254.721 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-1-(2-chloro-6-methyl-pyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol 3-[(2R)-1-(2-chloro-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) 1.98 4.35 -7.98 1 4 0 49 255.749 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-1-(2-chloro-6-methyl-pyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol 3-[(2S)-1-(2-chloro-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) 1.98 4.36 -7.98 1 4 0 49 255.749 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(6-chloro-2-methyl-pyrimidin-4-yl)pyrrolidine-2-carboxamide (2R)-1-(6-chloro-2-methyl-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) 1.03 2.25 -13.88 2 5 0 72 240.694 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(6-chloro-2-methyl-pyrimidin-4-yl)pyrrolidine-2-carboxamide (2S)-1-(6-chloro-2-methyl-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) 1.03 2.33 -13.28 2 5 0 72 240.694 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-methyl-6-[(2S)-2-methylpyrrolidin-1-yl]pyrimidine 4-chloro-2-methyl-6-[(2S)-2-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) 2.08 6.23 -5.28 0 3 0 29 211.696 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyrimidine 4-chloro-2-methyl-6-[(2R)-2-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) 2.08 6.24 -5.27 0 3 0 29 211.696 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-[(2R)-2-ethylpyrrolidin-1-yl]-2-methyl-pyrimidine 4-chloro-6-[(2R)-2-ethylpyrrolid…

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) 2.61 6.89 -5.15 0 3 0 29 225.723 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-[(2S)-2-ethylpyrrolidin-1-yl]-2-methyl-pyrimidine 4-chloro-6-[(2S)-2-ethylpyrrolid…

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) 2.61 6.9 -5.14 0 3 0 29 225.723 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]pyrimidine 4-chloro-2-methyl-6-[(3S)-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) 2.22 6.29 -5.07 0 3 0 29 211.696 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-methyl-6-[(3R)-3-methylpyrrolidin-1-yl]pyrimidine 4-chloro-2-methyl-6-[(3R)-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) 2.22 6.32 -4.96 0 3 0 29 211.696 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-1-(6-chloro-2-methyl-pyrimidin-4-yl)pyrrolidin-2-yl]methanol [(2R)-1-(6-chloro-2-methyl-pyrim…

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) 1.10 3.02 -7 1 4 0 49 227.695 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-1-(6-chloro-2-methyl-pyrimidin-4-yl)pyrrolidin-2-yl]methanol [(2S)-1-(6-chloro-2-methyl-pyrim…

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) 1.10 3.02 -7.02 1 4 0 49 227.695 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(6-chloro-2-methyl-pyrimidin-4-yl)-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(6-chloro-2-methyl-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) 0.84 3.75 -13.88 1 5 0 58 254.721 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(6-chloro-2-methyl-pyrimidin-4-yl)-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(6-chloro-2-methyl-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) 0.84 3.88 -13.32 1 5 0 58 254.721 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-1-(6-chloro-2-methyl-pyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol 3-[(2R)-1-(6-chloro-2-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) 1.64 4.31 -6.66 1 4 0 49 255.749 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-1-(6-chloro-2-methyl-pyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol 3-[(2S)-1-(6-chloro-2-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) 1.64 4.33 -6.63 1 4 0 49 255.749 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-pyrrolidin-1-ylpyrimidine-4-carboxylic 6-pyrrolidin-1-ylpyrimidine-4-ca…

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) 0.67 5.87 -49.38 0 5 -1 69 192.198 2 ↓
Mid Mid (pH 6-8) 0.67 6.3 -28.79 1 5 0 70 193.206 2 ↓

Analogs

41675451
41675451
41676130
41676130
41676343
41676343
42449921
42449921
42449923
42449923

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethyl-6-pyrrolidin-1-yl-pyrimidine 2,4-dimethyl-6-pyrrolidin-1-yl-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) 1.17 -1.9 -5.62 0 3 0 29 177.251 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[2-(aminomethyl)pyrrolidin-1-yl]-N-methylpyrimidin-4-amine 6-[2-(aminomethyl)pyrrolidin-1-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) -0.37 2.83 -53.03 4 5 1 69 208.289 3 ↓
Lo Low (pH 4.5-6) -0.37 3.52 -100.37 5 5 2 70 209.297 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[2-(aminomethyl)pyrrolidin-1-yl]-N-methylpyrimidin-4-amine 6-[2-(aminomethyl)pyrrolidin-1-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) -0.37 2.82 -53.04 4 5 1 69 208.289 3 ↓
Lo Low (pH 4.5-6) -0.37 3.49 -100.39 5 5 2 70 209.297 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine [(2R)-1-(2,6-dimethylpyrimidin-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) -0.04 4.12 -94.74 4 4 2 58 208.309 2 ↓
Mid Mid (pH 6-8) -0.04 3.71 -53.59 3 4 1 57 207.301 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine [(2S)-1-(2,6-dimethylpyrimidin-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) -0.04 4.11 -94.87 4 4 2 58 208.309 2 ↓
Mid Mid (pH 6-8) -0.04 3.72 -53.75 3 4 1 57 207.301 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-1-(2-isopropyl-6-methyl-pyrimidin-4-yl)pyrrolidin-2-yl]methanamine [(2R)-1-(2-isopropyl-6-methyl-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) 1.02 5.4 -94.34 4 4 2 58 236.363 3 ↓
Mid Mid (pH 6-8) 1.02 4.92 -53.02 3 4 1 57 235.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-1-(2-isopropyl-6-methyl-pyrimidin-4-yl)pyrrolidin-2-yl]methanamine [(2S)-1-(2-isopropyl-6-methyl-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) 1.02 5.39 -94.55 4 4 2 58 236.363 3 ↓
Mid Mid (pH 6-8) 1.02 4.92 -53.19 3 4 1 57 235.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine [(2R)-1-(6-propylpyrimidin-4-yl)…

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 5.34 -53.33 3 4 1 57 221.328 4 ↓
Mid Mid (pH 6-8) 0.95 5.71 -97.33 4 4 2 58 222.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine [(2S)-1-(6-propylpyrimidin-4-yl)…

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 5.34 -53.35 3 4 1 57 221.328 4 ↓
Mid Mid (pH 6-8) 0.95 5.72 -97.6 4 4 2 58 222.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-1-(6-isopropylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine [(2R)-1-(6-isopropylpyrimidin-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) 0.93 5 -54.39 3 4 1 57 221.328 3 ↓
Mid Mid (pH 6-8) 0.93 5.66 -96.06 4 4 2 58 222.336 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-1-(6-isopropylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine [(2S)-1-(6-isopropylpyrimidin-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) 0.93 5.1 -35.44 3 4 1 57 221.328 3 ↓
Mid Mid (pH 6-8) 0.93 5.66 -96.14 4 4 2 58 222.336 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine [(2R)-1-(6-ethylpyrimidin-4-yl)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) 0.44 4.56 -53.32 3 4 1 57 207.301 3 ↓
Mid Mid (pH 6-8) 0.44 4.94 -96.29 4 4 2 58 208.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine [(2S)-1-(6-ethylpyrimidin-4-yl)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) 0.44 4.56 -53.36 3 4 1 57 207.301 3 ↓
Mid Mid (pH 6-8) 0.44 4.94 -96.68 4 4 2 58 208.309 3 ↓

Parameters Provided:

ring.id = 21790
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 = 21790 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=21790&filter.purchasability=annotated

Embed Link to Results