Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_6lqgs1nohcfd0cukuh4ue872e0, 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: 2-(2-thienylmethyl)pyrimidin-5-amine 2-(2-thienylmethyl)pyrimidin-5-a…

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) 1.61 3.12 -7.06 2 3 0 52 191.259 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-methyl-2-(2-thienylmethyl)pyrimidine 4-chloro-6-methyl-2-(2-thienylme…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.22 6.26 -5.86 0 2 0 26 224.716 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-propyl-2-(2-thienylmethyl)pyrimidine 4-chloro-6-propyl-2-(2-thienylme…

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) 4.29 7.83 -5.19 0 2 0 26 252.77 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-6-chloro-2-(2-thienylmethyl)pyrimidine 4-tert-butyl-6-chloro-2-(2-thien…

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) 4.94 8.23 -4.99 0 2 0 26 266.797 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-ethyl-2-(2-thienylmethyl)pyrimidine 4-chloro-6-ethyl-2-(2-thienylmet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.79 7.05 -5.5 0 2 0 26 238.743 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-isopropyl-2-(2-thienylmethyl)pyrimidine 4-chloro-6-isopropyl-2-(2-thieny…

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) 4.28 7.48 -5.13 0 2 0 26 252.77 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-(2-thienylmethyl)pyrimidine 4-chloro-2-(2-thienylmethyl)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) 2.78 5.65 -6.14 0 2 0 26 210.689 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-5,6-dimethyl-2-(2-thienylmethyl)pyrimidine 4-chloro-5,6-dimethyl-2-(2-thien…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.60 6.72 -6.11 0 2 0 26 238.743 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-5-ethyl-6-methyl-2-(2-thienylmethyl)pyrimidine 4-chloro-5-ethyl-6-methyl-2-(2-t…

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) 4.06 7.47 -5.85 0 2 0 26 252.77 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-(methoxymethyl)-2-(2-thienylmethyl)pyrimidine 4-chloro-6-(methoxymethyl)-2-(2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.19 5.47 -5.37 0 3 0 35 254.742 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4,6-dimethyl-2-(2-thienylmethyl)pyrimidin-5-yl]acetic 2-[4,6-dimethyl-2-(2-thienylmeth…

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 7.53 -45.5 0 4 -1 66 261.326 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4,6-dimethyl-2-(2-thienylmethyl)pyrimidin-5-yl]propanoic 3-[4,6-dimethyl-2-(2-thienylmeth…

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) 2.51 8.34 -43.51 0 4 -1 66 275.353 5 ↓
Lo Low (pH 4.5-6) 2.51 6.36 -9.48 1 4 0 63 276.361 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-2-(2-thienylmethyl)pyrimidine-5-carboxylic 4-methyl-2-(2-thienylmethyl)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) 1.75 6.31 -41.14 0 4 -1 66 233.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-thienylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxylic 2-(2-thienylmethyl)-4-(trifluoro…

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) 2.66 6.68 -40.11 0 4 -1 66 287.242 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-propyl-2-(2-thienylmethyl)pyrimidine-5-carboxylic 4-propyl-2-(2-thienylmethyl)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) 2.83 7.7 -41.62 0 4 -1 66 261.326 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-2-(2-thienylmethyl)pyrimidine-5-carboxylic 4-ethyl-2-(2-thienylmethyl)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) 2.32 6.93 -41.2 0 4 -1 66 247.299 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-2-(2-thienylmethyl)pyrimidine-5-carboxylic 4-isopropyl-2-(2-thienylmethyl)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) 2.81 7.75 -44.63 0 4 -1 66 261.326 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-2-(2-thienylmethyl)pyrimidin-4-amine 6-methyl-2-(2-thienylmethyl)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) 2.02 4.61 -7.01 2 3 0 52 205.286 2 ↓
Mid Mid (pH 6-8) 2.02 5.1 -29.6 3 3 1 53 206.294 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-6-methyl-2-(2-thienylmethyl)pyrimidin-4-amine 5-ethyl-6-methyl-2-(2-thienylmet…

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) 2.87 5.99 -7.02 2 3 0 52 233.34 3 ↓
Mid Mid (pH 6-8) 2.87 6.48 -28.5 3 3 1 53 234.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-propyl-2-(2-thienylmethyl)pyrimidin-4-amine 6-propyl-2-(2-thienylmethyl)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) 3.10 6.18 -6.46 2 3 0 52 233.34 4 ↓
Mid Mid (pH 6-8) 3.10 6.61 -29.16 3 3 1 53 234.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-tert-butyl-2-(2-thienylmethyl)pyrimidin-4-amine 6-tert-butyl-2-(2-thienylmethyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.75 6.58 -6.39 2 3 0 52 247.367 3 ↓
Mid Mid (pH 6-8) 3.75 6.87 -27.21 3 3 1 53 248.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-ethyl-2-(2-thienylmethyl)pyrimidin-4-amine 6-ethyl-2-(2-thienylmethyl)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) 2.60 5.4 -6.65 2 3 0 52 219.313 3 ↓
Mid Mid (pH 6-8) 2.60 5.83 -28.84 3 3 1 53 220.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-isopropyl-2-(2-thienylmethyl)pyrimidin-4-amine 6-isopropyl-2-(2-thienylmethyl)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) 3.08 5.83 -6.61 2 3 0 52 233.34 3 ↓
Mid Mid (pH 6-8) 3.08 6.32 -28.1 3 3 1 53 234.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-thienylmethyl)pyrimidin-4-amine 2-(2-thienylmethyl)pyrimidin-4-a…

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 4 -6.85 2 3 0 52 191.259 2 ↓
Mid Mid (pH 6-8) 1.58 4.52 -33.06 3 3 1 53 192.267 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dimethyl-2-(2-thienylmethyl)pyrimidin-4-amine 5,6-dimethyl-2-(2-thienylmethyl)…

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) 2.40 5.25 -7.49 2 3 0 52 219.313 2 ↓
Mid Mid (pH 6-8) 2.40 5.74 -28.61 3 3 1 53 220.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,6-dimethyl-2-(2-thienylmethyl)pyrimidin-4-amine N,6-dimethyl-2-(2-thienylmethyl)…

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) 2.40 5.52 -7.13 1 3 0 38 219.313 3 ↓
Mid Mid (pH 6-8) 2.40 6.01 -28.8 2 3 1 39 220.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-6-methyl-2-(2-thienylmethyl)pyrimidin-4-amine N-ethyl-6-methyl-2-(2-thienylmet…

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) 2.77 6.34 -6.62 1 3 0 38 233.34 4 ↓
Mid Mid (pH 6-8) 2.77 6.83 -28.55 2 3 1 39 234.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-N-propyl-2-(2-thienylmethyl)pyrimidin-4-amine 6-methyl-N-propyl-2-(2-thienylme…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.28 7.1 -6.35 1 3 0 38 247.367 5 ↓
Mid Mid (pH 6-8) 3.28 7.59 -28.53 2 3 1 39 248.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-6-propyl-2-(2-thienylmethyl)pyrimidin-4-amine N-methyl-6-propyl-2-(2-thienylme…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.47 7.09 -6.51 1 3 0 38 247.367 5 ↓
Mid Mid (pH 6-8) 3.47 7.53 -28.18 2 3 1 39 248.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-tert-butyl-N-methyl-2-(2-thienylmethyl)pyrimidin-4-amine 6-tert-butyl-N-methyl-2-(2-thien…

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) 4.12 7.5 -6.56 1 3 0 38 261.394 4 ↓
Mid Mid (pH 6-8) 4.12 7.8 -26.2 2 3 1 39 262.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-tert-butyl-N-ethyl-2-(2-thienylmethyl)pyrimidin-4-amine 6-tert-butyl-N-ethyl-2-(2-thieny…

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) 4.50 8.32 -6.12 1 3 0 38 275.421 5 ↓
Mid Mid (pH 6-8) 4.50 8.61 -25.87 2 3 1 39 276.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-ethyl-N-methyl-2-(2-thienylmethyl)pyrimidin-4-amine 6-ethyl-N-methyl-2-(2-thienylmet…

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) 2.97 6.31 -6.74 1 3 0 38 233.34 4 ↓
Mid Mid (pH 6-8) 2.97 6.75 -27.91 2 3 1 39 234.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,6-diethyl-2-(2-thienylmethyl)pyrimidin-4-amine N,6-diethyl-2-(2-thienylmethyl)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) 3.35 7.12 -6.27 1 3 0 38 247.367 5 ↓
Mid Mid (pH 6-8) 3.35 7.56 -27.65 2 3 1 39 248.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-ethyl-N-propyl-2-(2-thienylmethyl)pyrimidin-4-amine 6-ethyl-N-propyl-2-(2-thienylmet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.85 7.89 -6.04 1 3 0 38 261.394 6 ↓
Mid Mid (pH 6-8) 3.85 8.33 -27.82 2 3 1 39 262.402 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-isopropyl-N-methyl-2-(2-thienylmethyl)pyrimidin-4-amine 6-isopropyl-N-methyl-2-(2-thieny…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 6.74 -6.81 1 3 0 38 247.367 4 ↓
Mid Mid (pH 6-8) 3.46 7.23 -27.23 2 3 1 39 248.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-6-isopropyl-2-(2-thienylmethyl)pyrimidin-4-amine N-ethyl-6-isopropyl-2-(2-thienyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.83 7.56 -6.32 1 3 0 38 261.394 5 ↓
Mid Mid (pH 6-8) 3.83 8.05 -26.89 2 3 1 39 262.402 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-isopropyl-N-propyl-2-(2-thienylmethyl)pyrimidin-4-amine 6-isopropyl-N-propyl-2-(2-thieny…

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) 4.33 8.32 -6.05 1 3 0 38 275.421 6 ↓
Mid Mid (pH 6-8) 4.33 8.81 -26.99 2 3 1 39 276.429 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-(2-thienylmethyl)pyrimidin-4-amine N-methyl-2-(2-thienylmethyl)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) 1.96 4.91 -6.87 1 3 0 38 205.286 3 ↓
Mid Mid (pH 6-8) 1.96 5.44 -32.26 2 3 1 39 206.294 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-2-(2-thienylmethyl)pyrimidin-4-amine N-ethyl-2-(2-thienylmethyl)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) 2.34 5.72 -6.32 1 3 0 38 219.313 4 ↓
Mid Mid (pH 6-8) 2.34 6.25 -32.12 2 3 1 39 220.321 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-propyl-2-(2-thienylmethyl)pyrimidin-4-amine N-propyl-2-(2-thienylmethyl)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) 2.84 6.49 -6.06 1 3 0 38 233.34 5 ↓
Mid Mid (pH 6-8) 2.84 7.02 -32.21 2 3 1 39 234.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,5,6-trimethyl-2-(2-thienylmethyl)pyrimidin-4-amine N,5,6-trimethyl-2-(2-thienylmeth…

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) 2.77 6.9 -27.93 2 3 1 39 234.348 3 ↓
Mid Mid (pH 6-8) 2.77 6.41 -7.6 1 3 0 38 233.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-5,6-dimethyl-2-(2-thienylmethyl)pyrimidin-4-amine N-ethyl-5,6-dimethyl-2-(2-thieny…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.15 7.73 -27.57 2 3 1 39 248.375 4 ↓
Mid Mid (pH 6-8) 3.15 7.24 -7.18 1 3 0 38 247.367 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dimethyl-N-propyl-2-(2-thienylmethyl)pyrimidin-4-amine 5,6-dimethyl-N-propyl-2-(2-thien…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.65 8.49 -27.69 2 3 1 39 262.402 5 ↓
Mid Mid (pH 6-8) 3.65 8 -7.05 1 3 0 38 261.394 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(methoxymethyl)-2-(2-thienylmethyl)pyrimidin-4-amine 6-(methoxymethyl)-2-(2-thienylme…

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) 2.00 3.81 -6.7 2 4 0 61 235.312 4 ↓
Lo Low (pH 4.5-6) 2.00 4.31 -29.51 3 4 1 62 236.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(methoxymethyl)-N-methyl-2-(2-thienylmethyl)pyrimidin-4-amine 6-(methoxymethyl)-N-methyl-2-(2-…

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) 2.37 4.74 -6.84 1 4 0 47 249.339 5 ↓
Lo Low (pH 4.5-6) 2.37 5.24 -28.6 2 4 1 48 250.347 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-6-(methoxymethyl)-2-(2-thienylmethyl)pyrimidin-4-amine N-ethyl-6-(methoxymethyl)-2-(2-t…

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) 2.75 5.55 -6.36 1 4 0 47 263.366 6 ↓
Lo Low (pH 4.5-6) 2.75 6.05 -28.25 2 4 1 48 264.374 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(methoxymethyl)-N-propyl-2-(2-thienylmethyl)pyrimidin-4-amine 6-(methoxymethyl)-N-propyl-2-(2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.25 6.32 -6.07 1 4 0 47 277.393 7 ↓
Lo Low (pH 4.5-6) 3.25 6.82 -28.34 2 4 1 48 278.401 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-methyl-2-(2-thienylmethyl)pyrimidin-4-yl]hydrazine [6-methyl-2-(2-thienylmethyl)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) 1.78 4.49 -8.04 3 4 0 64 220.301 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-ethyl-6-methyl-2-(2-thienylmethyl)pyrimidin-4-yl]hydrazine [5-ethyl-6-methyl-2-(2-thienylme…

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) 2.63 5.84 -7.96 3 4 0 64 248.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-propyl-2-(2-thienylmethyl)pyrimidin-4-yl]hydrazine [6-propyl-2-(2-thienylmethyl)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) 2.86 6.06 -7.38 3 4 0 64 248.355 5 ↓

Parameters Provided:

ring.id = 30507
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 = 30507 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=30507&filter.purchasability=annotated

Embed Link to Results