UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-furyl]methanamine N-methyl-1-[2-[(1-oxo-1,4-thiazi…

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) -0.66 3.77 -122.45 3 4 2 51 244.36 4 ↓
Hi High (pH 8-9.5) -0.66 2.19 -44.56 2 4 1 50 243.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-furyl]methyl]ethanamine N-[[2-[(1-oxo-1,4-thiazinan-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) -0.28 4.63 -122.32 3 4 2 51 258.387 5 ↓
Hi High (pH 8-9.5) -0.28 3.05 -44.03 2 4 1 50 257.379 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-furyl]methyl]propan-1-amine N-[[2-[(1-oxo-1,4-thiazinan-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) 0.22 5.38 -124.27 3 4 2 51 272.414 6 ↓
Hi High (pH 8-9.5) 0.22 3.79 -44.61 2 4 1 50 271.406 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-furyl]methyl]propan-2-amine N-[[2-[(1-oxo-1,4-thiazinan-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) 0.02 5.15 -121.98 3 4 2 51 272.414 5 ↓
Hi High (pH 8-9.5) 0.02 3.55 -42.39 2 4 1 50 271.406 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-furyl]methyl]propan-1-amine 2-methyl-N-[[2-[(1-oxo-1,4-thiaz…

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) 0.47 5.87 -127.03 3 4 2 51 286.441 6 ↓
Hi High (pH 8-9.5) 0.47 3.74 -49.81 2 4 1 50 285.433 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[2-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-furyl]methanamine N-methyl-1-[2-methyl-5-[(1-oxo-1…

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) -0.43 4.28 -110.53 3 4 2 51 258.387 4 ↓
Hi High (pH 8-9.5) -0.43 2.14 -51.75 2 4 1 50 257.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-furyl]methyl]ethanamine N-[[2-methyl-5-[(1-oxo-1,4-thiaz…

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) -0.06 5.13 -110.52 3 4 2 51 272.414 5 ↓
Hi High (pH 8-9.5) -0.06 3.01 -51.06 2 4 1 50 271.406 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-furyl]methyl]propan-1-amine N-[[2-methyl-5-[(1-oxo-1,4-thiaz…

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 5.9 -112.08 3 4 2 51 286.441 6 ↓
Hi High (pH 8-9.5) 0.44 3.76 -51.91 2 4 1 50 285.433 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-furyl]methyl]propan-2-amine N-[[2-methyl-5-[(1-oxo-1,4-thiaz…

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 5.66 -109.81 3 4 2 51 286.441 5 ↓
Hi High (pH 8-9.5) 0.24 3.52 -49.49 2 4 1 50 285.433 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[2-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-furyl]methyl]propan-2-amine 2-methyl-N-[[2-methyl-5-[(1-oxo-…

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) 0.75 6.07 -108.57 3 4 2 51 300.468 5 ↓
Hi High (pH 8-9.5) 0.75 3.93 -47.74 2 4 1 50 299.46 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[2-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-furyl]methyl]propan-1-amine 2-methyl-N-[[2-methyl-5-[(1-oxo-…

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) 0.69 6.59 -112.44 3 4 2 51 300.468 6 ↓
Hi High (pH 8-9.5) 0.69 4.45 -51.84 2 4 1 50 299.46 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-furyl]methanamine N-methyl-1-[5-[(1-oxo-1,4-thiazi…

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) -0.34 3.76 -108.67 3 4 2 51 244.36 4 ↓
Hi High (pH 8-9.5) -0.34 1.62 -50.73 2 4 1 50 243.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-furyl]methyl]ethanamine N-[[5-[(1-oxo-1,4-thiazinan-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) 0.03 4.61 -108.49 3 4 2 51 258.387 5 ↓
Hi High (pH 8-9.5) 0.03 2.49 -49.83 2 4 1 50 257.379 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-furyl]methyl]propan-1-amine N-[[5-[(1-oxo-1,4-thiazinan-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) 0.53 5.36 -110.03 3 4 2 51 272.414 6 ↓
Hi High (pH 8-9.5) 0.53 3.24 -50.63 2 4 1 50 271.406 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-furyl]methyl]propan-2-amine N-[[5-[(1-oxo-1,4-thiazinan-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) 0.33 5.13 -107.32 3 4 2 51 272.414 5 ↓
Hi High (pH 8-9.5) 0.33 3.01 -48.16 2 4 1 50 271.406 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-furyl]methyl]propan-2-amine 2-methyl-N-[[5-[(1-oxo-1,4-thiaz…

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 5.56 -106.32 3 4 2 51 286.441 5 ↓
Hi High (pH 8-9.5) 0.84 3.44 -46.43 2 4 1 50 285.433 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-furyl]methyl]propan-1-amine 2-methyl-N-[[5-[(1-oxo-1,4-thiaz…

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 6.06 -110.45 3 4 2 51 286.441 6 ↓
Hi High (pH 8-9.5) 0.78 3.93 -50.62 2 4 1 50 285.433 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-furyl]methanamine [5-[(1-oxo-1,4-thiazinan-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) -0.72 1.88 -113.6 4 4 2 62 230.333 3 ↓
Hi High (pH 8-9.5) -0.72 -0.24 -56.29 3 4 1 61 229.325 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-furyl]methanamine [2-methyl-5-[(1-oxo-1,4-thiazina…

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 2.41 -115.37 4 4 2 62 244.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-furyl]methanamine [2-[(1-oxo-1,4-thiazinan-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) -1.03 1.69 -129.24 4 4 2 62 230.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-furyl]methanamine [3-methyl-5-[(1-oxo-1,4-thiazina…

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) -0.34 2.38 -112.31 4 4 2 62 244.36 3 ↓
Hi High (pH 8-9.5) -0.34 0.24 -54.66 3 4 1 61 243.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-furyl]methanamine [5-[(1-oxo-1,4-thiazinan-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) -1.03 1.71 -110.59 4 4 2 62 230.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-furyl]methanamine N-methyl-1-[5-[(1-oxo-1,4-thiazi…

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) -0.66 3.59 -106.54 3 4 2 51 244.36 4 ↓
Hi High (pH 8-9.5) -0.66 1.46 -46.54 2 4 1 50 243.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-furyl]methyl]ethanamine N-[[5-[(1-oxo-1,4-thiazinan-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) -0.28 4.45 -106.44 3 4 2 51 258.387 5 ↓
Hi High (pH 8-9.5) -0.28 2.31 -45.88 2 4 1 50 257.379 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-furyl]methyl]propan-1-amine N-[[5-[(1-oxo-1,4-thiazinan-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) 0.22 5.21 -107.93 3 4 2 51 272.414 6 ↓
Hi High (pH 8-9.5) 0.22 3.07 -46.72 2 4 1 50 271.406 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-furyl]methyl]propan-2-amine N-[[5-[(1-oxo-1,4-thiazinan-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) 0.02 4.98 -105.82 3 4 2 51 272.414 5 ↓
Hi High (pH 8-9.5) 0.02 2.84 -44.38 2 4 1 50 271.406 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-furyl]methyl]propan-2-amine 2-methyl-N-[[5-[(1-oxo-1,4-thiaz…

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) 0.53 5.4 -104.92 3 4 2 51 286.441 5 ↓
Hi High (pH 8-9.5) 0.53 3.28 -43.05 2 4 1 50 285.433 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-furyl]methyl]propan-1-amine 2-methyl-N-[[5-[(1-oxo-1,4-thiaz…

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) 0.47 5.9 -108.54 3 4 2 51 286.441 6 ↓
Hi High (pH 8-9.5) 0.47 3.77 -46.81 2 4 1 50 285.433 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[3-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-furyl]methanamine N-methyl-1-[3-methyl-5-[(1-oxo-1…

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) 0.03 4.25 -107.34 3 4 2 51 258.387 4 ↓
Hi High (pH 8-9.5) 0.03 2.11 -49.16 2 4 1 50 257.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-furyl]methyl]ethanamine N-[[3-methyl-5-[(1-oxo-1,4-thiaz…

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) 0.41 5.1 -107.05 3 4 2 51 272.414 5 ↓
Hi High (pH 8-9.5) 0.41 2.97 -48.17 2 4 1 50 271.406 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-furyl]methyl]propan-1-amine N-[[3-methyl-5-[(1-oxo-1,4-thiaz…

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) 0.91 5.85 -108.47 3 4 2 51 286.441 6 ↓
Hi High (pH 8-9.5) 0.91 3.71 -48.86 2 4 1 50 285.433 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-furyl]methyl]propan-2-amine N-[[3-methyl-5-[(1-oxo-1,4-thiaz…

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 5.64 -106.06 3 4 2 51 286.441 5 ↓
Hi High (pH 8-9.5) 0.70 3.49 -46.7 2 4 1 50 285.433 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[3-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-furyl]methyl]propan-2-amine 2-methyl-N-[[3-methyl-5-[(1-oxo-…

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 6.07 -104.83 3 4 2 51 300.468 5 ↓
Hi High (pH 8-9.5) 1.22 3.93 -44.83 2 4 1 50 299.46 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[3-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-furyl]methyl]propan-1-amine 2-methyl-N-[[3-methyl-5-[(1-oxo-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.15 6.56 -108.88 3 4 2 51 300.468 6 ↓
Hi High (pH 8-9.5) 1.15 4.42 -48.88 2 4 1 50 299.46 6 ↓

Parameters Provided:

ring.id = 249498
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 = 249498 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=249498&filter.purchasability=annotated

Embed Link to Results