Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_8trat0rlts3h4d7cq8c1j4sat1, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(cyclopropylamino)methyl]-2-isopropyl-N-(3-methoxypropyl)-N-methyl-pyrimidin-5-amine 4-[(cyclopropylamino)methyl]-2-i…

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 7.1 -37.74 2 5 1 55 293.435 9 ↓
Hi High (pH 8-9.5) 1.82 5.81 -5.75 1 5 0 50 292.427 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2,2-dimethyl-N-(pyrimidin-4-ylmethyl)cyclopropanamine (1S)-2,2-dimethyl-N-(pyrimidin-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) 0.74 5.37 -38.58 2 3 1 42 178.259 3 ↓
Hi High (pH 8-9.5) 0.74 4 -4.1 1 3 0 38 177.251 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2,2-dimethyl-N-(pyrimidin-4-ylmethyl)cyclopropanamine (1R)-2,2-dimethyl-N-(pyrimidin-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) 0.74 5.37 -38.62 2 3 1 42 178.259 3 ↓
Hi High (pH 8-9.5) 0.74 4.11 -4.11 1 3 0 38 177.251 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-methyl-N-(pyrimidin-4-ylmethyl)cyclopropanamine (1S,2R)-2-methyl-N-(pyrimidin-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) 0.78 4.87 -38.22 2 3 1 42 164.232 3 ↓
Hi High (pH 8-9.5) 0.78 3.49 -4.19 1 3 0 38 163.224 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methyl-N-(pyrimidin-4-ylmethyl)cyclopropanamine (1S,2S)-2-methyl-N-(pyrimidin-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) 0.78 4.63 -38.83 2 3 1 42 164.232 3 ↓
Hi High (pH 8-9.5) 0.78 3.32 -4.13 1 3 0 38 163.224 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-methyl-N-(pyrimidin-4-ylmethyl)cyclopropanamine (1R,2R)-2-methyl-N-(pyrimidin-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) 0.78 4.62 -39.01 2 3 1 42 164.232 3 ↓
Hi High (pH 8-9.5) 0.78 3.33 -4.25 1 3 0 38 163.224 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methyl-N-(pyrimidin-4-ylmethyl)cyclopropanamine (1R,2S)-2-methyl-N-(pyrimidin-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) 0.78 4.87 -38.53 2 3 1 42 164.232 3 ↓
Hi High (pH 8-9.5) 0.78 3.6 -4.16 1 3 0 38 163.224 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2,2-dimethyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclopropanamine (1R)-2,2-dimethyl-N-[(2-methylpy…

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) 0.83 5.33 -38.81 2 3 1 42 192.286 3 ↓
Hi High (pH 8-9.5) 0.83 3.95 -5.7 1 3 0 38 191.278 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2,2-dimethyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclopropanamine (1S)-2,2-dimethyl-N-[(2-methylpy…

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) 0.83 5.33 -38.74 2 3 1 42 192.286 3 ↓
Hi High (pH 8-9.5) 0.83 4.07 -5.63 1 3 0 38 191.278 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclopropanamine (1R,2S)-2-methyl-N-[(2-methylpyr…

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 4.83 -38.7 2 3 1 42 178.259 3 ↓
Hi High (pH 8-9.5) 0.87 3.46 -5.86 1 3 0 38 177.251 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclopropanamine (1S,2S)-2-methyl-N-[(2-methylpyr…

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 4.59 -39.02 2 3 1 42 178.259 3 ↓
Hi High (pH 8-9.5) 0.87 3.29 -5.86 1 3 0 38 177.251 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclopropanamine (1R,2R)-2-methyl-N-[(2-methylpyr…

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 4.59 -39.2 2 3 1 42 178.259 3 ↓
Hi High (pH 8-9.5) 0.87 3.28 -5.8 1 3 0 38 177.251 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclopropanamine (1S,2R)-2-methyl-N-[(2-methylpyr…

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 4.83 -38.42 2 3 1 42 178.259 3 ↓
Hi High (pH 8-9.5) 0.87 3.56 -5.67 1 3 0 38 177.251 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-methoxyethyl)pyrimidin-4-yl]methyl]cyclopropanamine N-[[2-(2-methoxyethyl)pyrimidin-…

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 3.59 -41.25 2 4 1 52 208.285 6 ↓
Hi High (pH 8-9.5) 0.44 2.3 -6.66 1 4 0 47 207.277 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]cyclopropanamine N-[[2-(2,2,2-trifluoroethyl)pyri…

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) 1.38 4.8 -42.72 2 3 1 42 232.229 5 ↓
Hi High (pH 8-9.5) 1.38 3.5 -7.11 1 3 0 38 231.221 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-isopentylpyrimidin-4-yl)methyl]cyclopropanamine N-[(2-isopentylpyrimidin-4-yl)me…

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) 2.11 6.59 -39.01 2 3 1 42 220.34 6 ↓
Hi High (pH 8-9.5) 2.11 5.29 -5.53 1 3 0 38 219.332 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(methoxymethyl)pyrimidin-4-yl]methyl]cyclopropanamine N-[[2-(methoxymethyl)pyrimidin-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) 0.24 2.88 -40.87 2 4 1 52 194.258 5 ↓
Hi High (pH 8-9.5) 0.24 1.59 -8.26 1 4 0 47 193.25 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]cyclopropanamine N-[[2-(propoxymethyl)pyrimidin-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) 1.11 4.65 -40.54 2 4 1 52 222.312 7 ↓
Hi High (pH 8-9.5) 1.11 3.35 -8 1 4 0 47 221.304 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(methylsulfonylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine N-[[2-(methylsulfonylmethyl)pyri…

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) -0.35 1.3 -48.02 2 5 1 77 242.324 5 ↓
Hi High (pH 8-9.5) -0.35 0 -18.69 1 5 0 72 241.316 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-propylpyrimidin-4-yl)methyl]cyclopropanamine N-[(2-propylpyrimidin-4-yl)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) 1.34 5.3 -39.03 2 3 1 42 192.286 5 ↓
Hi High (pH 8-9.5) 1.34 4 -5.71 1 3 0 38 191.278 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-diethylaminoethyl)pyrimidin-4-yl]methyl]cyclopropanamine N-[[2-(2-diethylaminoethyl)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) 1.24 7.19 -86.4 3 4 2 47 250.39 8 ↓
Hi High (pH 8-9.5) 1.24 3.78 -5.73 1 4 0 41 248.374 8 ↓
Hi High (pH 8-9.5) 1.24 5.89 -31.74 2 4 1 42 249.382 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-isobutylpyrimidin-4-yl)methyl]cyclopropanamine N-[(2-isobutylpyrimidin-4-yl)met…

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) 1.58 5.9 -39.04 2 3 1 42 206.313 5 ↓
Hi High (pH 8-9.5) 1.58 4.6 -5.29 1 3 0 38 205.305 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-tert-butylpyrimidin-4-yl)methyl]cyclopropanamine N-[(2-tert-butylpyrimidin-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) 1.99 5.88 -39.02 2 3 1 42 206.313 4 ↓
Hi High (pH 8-9.5) 1.99 4.59 -5.53 1 3 0 38 205.305 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]acetamide 2-[4-[(cyclopropylamino)methyl]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) -0.81 0.4 -45.57 4 5 1 85 207.257 5 ↓
Hi High (pH 8-9.5) -0.81 -0.9 -13.01 3 5 0 81 206.249 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(cyclopropylamino)methyl]-N,N-diethyl-pyrimidin-2-amine 4-[(cyclopropylamino)methyl]-N,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) 1.89 8.37 -38.02 2 4 1 46 221.328 6 ↓
Hi High (pH 8-9.5) 1.89 7.07 -6.19 1 4 0 41 220.32 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(cyclopropylamino)methyl]-N,N-dimethyl-pyrimidin-2-amine 4-[(cyclopropylamino)methyl]-N,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) 1.14 6.37 -38.67 2 4 1 46 193.274 4 ↓
Hi High (pH 8-9.5) 1.14 5.07 -7.01 1 4 0 41 192.266 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(methylsulfanylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine N-[[2-(methylsulfanylmethyl)pyri…

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) 0.78 4.96 -40.19 2 3 1 42 210.326 5 ↓
Hi High (pH 8-9.5) 0.78 3.67 -7.75 1 3 0 38 209.318 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6-methyl-2-propyl-pyrimidin-4-yl)methyl]cyclopropanamine N-[(6-methyl-2-propyl-pyrimidin-…

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 5.9 -38.93 2 3 1 42 206.313 5 ↓
Hi High (pH 8-9.5) 1.78 4.61 -5.85 1 3 0 38 205.305 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6-methylpyrimidin-4-yl)methyl]cyclopropanamine N-[(6-methylpyrimidin-4-yl)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) 0.62 4.56 -38.83 2 3 1 42 164.232 3 ↓
Hi High (pH 8-9.5) 0.62 3.27 -5.68 1 3 0 38 163.224 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,6-dimethylpyrimidin-4-yl)methyl]cyclopropanamine N-[(2,6-dimethylpyrimidin-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) 0.70 4.52 -39.02 2 3 1 42 178.259 3 ↓
Hi High (pH 8-9.5) 0.70 3.22 -6.09 1 3 0 38 177.251 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(cyclopropylamino)methyl]-6-methyl-pyrimidin-2-yl]acetamide 2-[4-[(cyclopropylamino)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) -0.37 1 -42.9 4 5 1 85 221.284 5 ↓
Hi High (pH 8-9.5) -0.37 -0.29 -13.79 3 5 0 81 220.276 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-tert-butyl-6-methyl-pyrimidin-4-yl)methyl]cyclopropanamine N-[(2-tert-butyl-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) 2.43 6.47 -38.89 2 3 1 42 220.34 4 ↓
Hi High (pH 8-9.5) 2.43 5.18 -5.63 1 3 0 38 219.332 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(cyclopropylamino)methyl]-N,N-diethyl-6-methyl-pyrimidin-2-amine 4-[(cyclopropylamino)methyl]-N,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) 2.33 8.97 -38.04 2 4 1 46 235.355 6 ↓
Hi High (pH 8-9.5) 2.33 7.67 -6.41 1 4 0 41 234.347 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(cyclopropylamino)methyl]-N,N,6-trimethyl-pyrimidin-2-amine 4-[(cyclopropylamino)methyl]-N,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) 1.57 7.05 -38.79 2 4 1 46 207.301 4 ↓
Hi High (pH 8-9.5) 1.57 5.75 -6.99 1 4 0 41 206.293 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-methyl-2-(methylsulfanylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine N-[[6-methyl-2-(methylsulfanylme…

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) 1.22 5.57 -40.02 2 3 1 42 224.353 5 ↓
Hi High (pH 8-9.5) 1.22 4.27 -7.77 1 3 0 38 223.345 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-ethyl-6-methyl-pyrimidin-4-yl)methyl]cyclopropanamine N-[(2-ethyl-6-methyl-pyrimidin-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) 1.27 5.12 -38.97 2 3 1 42 192.286 4 ↓
Hi High (pH 8-9.5) 1.27 3.83 -5.98 1 3 0 38 191.278 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-isopropyl-6-methyl-pyrimidin-4-yl)methyl]cyclopropanamine N-[(2-isopropyl-6-methyl-pyrimid…

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) 1.76 5.71 -38.61 2 3 1 42 206.313 4 ↓
Hi High (pH 8-9.5) 1.76 4.42 -5.88 1 3 0 38 205.305 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-diethylaminoethyl)-6-methyl-pyrimidin-4-yl]methyl]cyclopropanamine N-[[2-(2-diethylaminoethyl)-6-me…

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) 1.68 7.8 -86.38 3 4 2 47 264.417 8 ↓
Hi High (pH 8-9.5) 1.68 5.63 -39.41 2 4 1 46 263.409 8 ↓
Hi High (pH 8-9.5) 1.68 6.5 -31.61 2 4 1 42 263.409 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-isobutyl-6-methyl-pyrimidin-4-yl)methyl]cyclopropanamine N-[(2-isobutyl-6-methyl-pyrimidi…

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) 2.02 6.5 -38.49 2 3 1 42 220.34 5 ↓
Hi High (pH 8-9.5) 2.02 5.21 -5.5 1 3 0 38 219.332 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-methoxyethyl)-6-methyl-pyrimidin-4-yl]methyl]cyclopropanamine N-[[2-(2-methoxyethyl)-6-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) 0.88 4.2 -41.19 2 4 1 52 222.312 6 ↓
Hi High (pH 8-9.5) 0.88 2.9 -6.64 1 4 0 47 221.304 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]cyclopropanamine N-[[6-methyl-2-(2,2,2-trifluoroe…

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 5.4 -41.34 2 3 1 42 246.256 5 ↓
Hi High (pH 8-9.5) 1.82 4.11 -7.4 1 3 0 38 245.248 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-isopentyl-6-methyl-pyrimidin-4-yl)methyl]cyclopropanamine N-[(2-isopentyl-6-methyl-pyrimid…

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 7.19 -39.02 2 3 1 42 234.367 6 ↓
Hi High (pH 8-9.5) 2.55 5.9 -5.63 1 3 0 38 233.359 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(methoxymethyl)-6-methyl-pyrimidin-4-yl]methyl]cyclopropanamine N-[[2-(methoxymethyl)-6-methyl-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) 0.67 3.48 -40.8 2 4 1 52 208.285 5 ↓
Hi High (pH 8-9.5) 0.67 2.19 -8.34 1 4 0 47 207.277 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-methyl-2-(propoxymethyl)pyrimidin-4-yl]methyl]cyclopropanamine N-[[6-methyl-2-(propoxymethyl)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) 1.55 5.25 -40.43 2 4 1 52 236.339 7 ↓
Hi High (pH 8-9.5) 1.55 3.96 -8.09 1 4 0 47 235.331 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-methyl-2-(methylsulfonylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine N-[[6-methyl-2-(methylsulfonylme…

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) 0.09 1.9 -47.96 2 5 1 77 256.351 5 ↓
Hi High (pH 8-9.5) 0.09 0.6 -18.77 1 5 0 72 255.343 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2,2-dimethylpropyl)-6-methyl-pyrimidin-4-yl]methyl]cyclopropanamine N-[[2-(2,2-dimethylpropyl)-6-met…

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) 2.60 6.95 -38.56 2 3 1 42 234.367 5 ↓
Hi High (pH 8-9.5) 2.60 5.65 -5.14 1 3 0 38 233.359 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-butyl-N-cyclopropyl-1-pyrimidin-4-yl-ethane-1,2-diamine (1S)-N-butyl-N-cyclopropyl-1-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) 0.85 4.39 -49.82 3 4 1 57 235.355 7 ↓
Hi High (pH 8-9.5) 0.85 4.18 -4.4 2 4 0 55 234.347 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-butyl-N-cyclopropyl-1-pyrimidin-4-yl-ethane-1,2-diamine (1R)-N-butyl-N-cyclopropyl-1-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) 0.85 4.94 -46.83 3 4 1 57 235.355 7 ↓
Hi High (pH 8-9.5) 0.85 4.25 -4.54 2 4 0 55 234.347 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-cyclopropyl-N-(2-methoxyethyl)-1-pyrimidin-4-yl-ethane-1,2-diamine (1S)-N-cyclopropyl-N-(2-methoxye…

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) -0.61 1.9 -53.27 3 5 1 66 237.327 7 ↓
Hi High (pH 8-9.5) -0.61 1.76 -7.38 2 5 0 64 236.319 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-cyclopropyl-N-(2-methoxyethyl)-1-pyrimidin-4-yl-ethane-1,2-diamine (1R)-N-cyclopropyl-N-(2-methoxye…

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) -0.61 2.49 -45.27 3 5 1 66 237.327 7 ↓
Hi High (pH 8-9.5) -0.61 2.14 -4.36 2 5 0 64 236.319 7 ↓

Parameters Provided:

ring.id = 16490
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 = 16490 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=16490&filter.purchasability=annotated

Embed Link to Results