UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(azocan-1-yl)thiazole-5-carbaldehyde 2-(azocan-1-yl)thiazole-5-carbal…

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) 3.04 6.53 -8.65 0 3 0 33 224.329 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(azocan-1-yl)thiazol-5-yl]ethanone 1-[2-(azocan-1-yl)thiazol-5-yl]e…

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 7.24 -9.88 0 3 0 33 238.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(azocan-1-yl)-4-methyl-thiazol-5-yl]ethanone 1-[2-(azocan-1-yl)-4-methyl-thia…

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) 3.37 7.89 -8.72 0 3 0 33 252.383 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-(azocan-1-yl)-4-methyl-thiazol-5-yl]ethanamine (1R)-1-[2-(azocan-1-yl)-4-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) 1.34 6.01 -43.26 3 3 1 44 254.423 2 ↓
Mid Mid (pH 6-8) 1.34 5.66 -6.04 2 3 0 42 253.415 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(azocan-1-yl)-4-methyl-thiazol-5-yl]ethanamine (1S)-1-[2-(azocan-1-yl)-4-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) 1.34 6.02 -42.84 3 3 1 44 254.423 2 ↓
Mid Mid (pH 6-8) 1.34 5.68 -6.31 2 3 0 42 253.415 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(azocan-1-yl)thiazol-5-yl]methanamine [2-(azocan-1-yl)thiazol-5-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) 2.44 4.84 -43.95 3 3 1 44 226.369 2 ↓
Mid Mid (pH 6-8) 2.44 4.43 -5.97 2 3 0 42 225.361 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(azocan-1-yl)thiazol-5-yl]ethanamine (1S)-1-[2-(azocan-1-yl)thiazol-5…

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) 1.12 5.51 -42.72 3 3 1 44 240.396 2 ↓
Mid Mid (pH 6-8) 1.12 5.18 -5.74 2 3 0 42 239.388 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-(azocan-1-yl)thiazol-5-yl]ethanamine (1R)-1-[2-(azocan-1-yl)thiazol-5…

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) 1.12 5.51 -42.52 3 3 1 44 240.396 2 ↓
Mid Mid (pH 6-8) 1.12 5.17 -5.49 2 3 0 42 239.388 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-(azocan-1-yl)-4-methyl-thiazol-5-yl]-N-methyl-ethanamine (1R)-1-[2-(azocan-1-yl)-4-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) 3.59 7.72 -38.05 2 3 1 33 268.45 3 ↓
Hi High (pH 8-9.5) 3.59 6.44 -5.91 1 3 0 28 267.442 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(azocan-1-yl)-4-methyl-thiazol-5-yl]-N-methyl-ethanamine (1S)-1-[2-(azocan-1-yl)-4-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) 3.59 7.74 -37.65 2 3 1 33 268.45 3 ↓
Hi High (pH 8-9.5) 3.59 6.44 -5.22 1 3 0 28 267.442 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(azocan-1-yl)-4-methyl-thiazol-5-yl]-N-ethyl-ethanamine (1S)-1-[2-(azocan-1-yl)-4-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) 3.97 8.56 -36.43 2 3 1 33 282.477 4 ↓
Hi High (pH 8-9.5) 3.97 7.38 -5.88 1 3 0 28 281.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-(azocan-1-yl)-4-methyl-thiazol-5-yl]-N-ethyl-ethanamine (1R)-1-[2-(azocan-1-yl)-4-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) 3.97 8.58 -36.42 2 3 1 33 282.477 4 ↓
Hi High (pH 8-9.5) 3.97 7.37 -5.06 1 3 0 28 281.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[2-(azocan-1-yl)-4-methyl-thiazol-5-yl]ethyl]propan-1-amine N-[(1S)-1-[2-(azocan-1-yl)-4-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) 4.47 9.32 -37.05 2 3 1 33 296.504 5 ↓
Hi High (pH 8-9.5) 4.47 8.13 -5.79 1 3 0 28 295.496 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[2-(azocan-1-yl)-4-methyl-thiazol-5-yl]ethyl]propan-1-amine N-[(1R)-1-[2-(azocan-1-yl)-4-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) 4.47 9.33 -37.03 2 3 1 33 296.504 5 ↓
Hi High (pH 8-9.5) 4.47 8.13 -4.96 1 3 0 28 295.496 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(azocan-1-yl)thiazol-5-yl]-N-methyl-methanamine 1-[2-(azocan-1-yl)thiazol-5-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) 2.81 6.71 -38.51 2 3 1 33 240.396 3 ↓
Hi High (pH 8-9.5) 2.81 5.27 -5.47 1 3 0 28 239.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(azocan-1-yl)thiazol-5-yl]methyl]ethanamine N-[[2-(azocan-1-yl)thiazol-5-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) 3.19 7.57 -37.5 2 3 1 33 254.423 4 ↓
Hi High (pH 8-9.5) 3.19 6.2 -5.25 1 3 0 28 253.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(azocan-1-yl)thiazol-5-yl]methyl]propan-1-amine N-[[2-(azocan-1-yl)thiazol-5-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) 3.69 8.32 -38.32 2 3 1 33 268.45 5 ↓
Hi High (pH 8-9.5) 3.69 6.96 -5.13 1 3 0 28 267.442 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(azocan-1-yl)thiazol-5-yl]methyl]propan-2-amine N-[[2-(azocan-1-yl)thiazol-5-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) 3.48 8.1 -35.94 2 3 1 33 268.45 4 ↓
Hi High (pH 8-9.5) 3.48 6.89 -5.09 1 3 0 28 267.442 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(azocan-1-yl)thiazol-5-yl]methyl]-2-methyl-propan-2-amine N-[[2-(azocan-1-yl)thiazol-5-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) 4.00 8.53 -34.1 2 3 1 33 282.477 4 ↓
Hi High (pH 8-9.5) 4.00 7.28 -4.99 1 3 0 28 281.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(azocan-1-yl)thiazol-5-yl]methyl]-2-methyl-propan-1-amine N-[[2-(azocan-1-yl)thiazol-5-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) 3.93 9.02 -38.27 2 3 1 33 282.477 5 ↓
Hi High (pH 8-9.5) 3.93 7.79 -4.96 1 3 0 28 281.469 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(azocan-1-yl)thiazol-5-yl]methyl]-2-methoxy-ethanamine N-[[2-(azocan-1-yl)thiazol-5-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) 2.80 6.71 -38.09 2 4 1 42 284.449 6 ↓
Mid Mid (pH 6-8) 2.80 5.35 -6.4 1 4 0 37 283.441 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(azocan-1-yl)thiazol-5-yl]-N-methyl-ethanamine (1S)-1-[2-(azocan-1-yl)thiazol-5…

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) 3.37 7.26 -37.51 2 3 1 33 254.423 3 ↓
Hi High (pH 8-9.5) 3.37 5.98 -4.82 1 3 0 28 253.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-(azocan-1-yl)thiazol-5-yl]-N-methyl-ethanamine (1R)-1-[2-(azocan-1-yl)thiazol-5…

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) 3.37 7.26 -37.28 2 3 1 33 254.423 3 ↓
Hi High (pH 8-9.5) 3.37 5.99 -5.62 1 3 0 28 253.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(azocan-1-yl)thiazol-5-yl]-N-ethyl-ethanamine (1S)-1-[2-(azocan-1-yl)thiazol-5…

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 8.09 -36.05 2 3 1 33 268.45 4 ↓
Hi High (pH 8-9.5) 3.75 6.93 -5.29 1 3 0 28 267.442 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-(azocan-1-yl)thiazol-5-yl]-N-ethyl-ethanamine (1R)-1-[2-(azocan-1-yl)thiazol-5…

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 8.09 -35.86 2 3 1 33 268.45 4 ↓
Hi High (pH 8-9.5) 3.75 6.89 -4.54 1 3 0 28 267.442 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[2-(azocan-1-yl)thiazol-5-yl]ethyl]propan-1-amine N-[(1S)-1-[2-(azocan-1-yl)thiazo…

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) 4.25 8.85 -36.69 2 3 1 33 282.477 5 ↓
Hi High (pH 8-9.5) 4.25 7.68 -5.18 1 3 0 28 281.469 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[2-(azocan-1-yl)thiazol-5-yl]ethyl]propan-1-amine N-[(1R)-1-[2-(azocan-1-yl)thiazo…

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) 4.25 8.86 -36.53 2 3 1 33 282.477 5 ↓
Hi High (pH 8-9.5) 4.25 7.65 -4.43 1 3 0 28 281.469 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(azocan-1-yl)thiazole-5-carboxylic 2-(azocan-1-yl)thiazole-5-carbox…

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) 2.82 7.39 -53.42 0 4 -1 56 239.32 2 ↓
Lo Low (pH 4.5-6) 2.82 7.92 -40.21 1 4 0 58 240.328 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-(azocan-1-yl)-4-methyl-thiazol-5-yl]ethanol (1R)-1-[2-(azocan-1-yl)-4-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) 3.04 5.39 -8.09 1 3 0 36 254.399 2 ↓
Lo Low (pH 4.5-6) 3.04 5.9 -23.85 2 3 1 38 255.407 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(azocan-1-yl)-4-methyl-thiazol-5-yl]ethanol (1S)-1-[2-(azocan-1-yl)-4-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) 3.04 5.41 -8.26 1 3 0 36 254.399 2 ↓
Lo Low (pH 4.5-6) 3.04 5.91 -23.68 2 3 1 38 255.407 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(azocan-1-yl)thiazol-5-yl]methanol [2-(azocan-1-yl)thiazol-5-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) 2.59 4.1 -8.21 1 3 0 36 226.345 2 ↓
Lo Low (pH 4.5-6) 2.59 4.65 -25.56 2 3 1 38 227.353 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(azocan-1-yl)thiazol-5-yl]ethanol (1S)-1-[2-(azocan-1-yl)thiazol-5…

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) 2.82 4.93 -6.27 1 3 0 36 240.372 2 ↓
Lo Low (pH 4.5-6) 2.82 5.46 -26.03 2 3 1 38 241.38 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-(azocan-1-yl)thiazol-5-yl]ethanol (1R)-1-[2-(azocan-1-yl)thiazol-5…

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) 2.82 4.93 -6.37 1 3 0 36 240.372 2 ↓
Lo Low (pH 4.5-6) 2.82 5.44 -26.21 2 3 1 38 241.38 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(azocan-1-yl)-4-methyl-thiazole-5-carbaldehyde 2-(azocan-1-yl)-4-methyl-thiazol…

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) 3.26 7.18 -9.7 0 3 0 33 238.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(azocan-1-yl)-4-ethyl-thiazole-5-carbaldehyde 2-(azocan-1-yl)-4-ethyl-thiazole…

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) 3.84 7.9 -9.21 0 3 0 33 252.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(azocan-1-yl)-4-propyl-thiazole-5-carbaldehyde 2-(azocan-1-yl)-4-propyl-thiazol…

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) 4.34 8.68 -8.89 0 3 0 33 266.41 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(azocan-1-yl)-4-tert-butyl-thiazole-5-carbaldehyde 2-(azocan-1-yl)-4-tert-butyl-thi…

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) 4.99 8.96 -8.52 0 3 0 33 280.437 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(azocan-1-yl)-4-methyl-thiazole-5-carboxylic 2-(azocan-1-yl)-4-methyl-thiazol…

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) 3.04 7.98 -53.3 0 4 -1 56 253.347 2 ↓
Mid Mid (pH 6-8) 3.04 8.38 -39.16 1 4 0 58 254.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(azocan-1-yl)-4-tert-butyl-thiazole-5-carboxylic 2-(azocan-1-yl)-4-tert-butyl-thi…

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) 4.77 9.74 -51.23 0 4 -1 56 295.428 3 ↓
Mid Mid (pH 6-8) 4.77 10.06 -36.05 1 4 0 58 296.436 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(azocan-1-yl)-4-ethyl-thiazole-5-carboxylic 2-(azocan-1-yl)-4-ethyl-thiazole…

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) 3.62 8.71 -53.69 0 4 -1 56 267.374 3 ↓
Mid Mid (pH 6-8) 3.62 9.06 -39.08 1 4 0 58 268.382 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(azocan-1-yl)-4-propyl-thiazole-5-carboxylic 2-(azocan-1-yl)-4-propyl-thiazol…

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 9.48 -54.23 0 4 -1 56 281.401 4 ↓
Mid Mid (pH 6-8) 4.12 9.83 -39.22 1 4 0 58 282.409 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(azocan-1-yl)-4-propyl-thiazol-5-yl]methyl]ethanamine N-[[2-(azocan-1-yl)-4-propyl-thi…

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) 4.48 9.65 -38.22 2 3 1 33 296.504 6 ↓
Hi High (pH 8-9.5) 4.48 8.37 -4.79 1 3 0 28 295.496 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(azocan-1-yl)-4-propyl-thiazol-5-yl]methyl]propan-1-amine N-[[2-(azocan-1-yl)-4-propyl-thi…

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) 4.99 10.4 -38.89 2 3 1 33 310.531 7 ↓
Hi High (pH 8-9.5) 4.99 9.14 -4.66 1 3 0 28 309.523 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(azocan-1-yl)-4-propyl-thiazol-5-yl]methyl]propan-2-amine N-[[2-(azocan-1-yl)-4-propyl-thi…

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) 4.78 10.15 -36.37 2 3 1 33 310.531 6 ↓
Hi High (pH 8-9.5) 4.78 9.07 -4.66 1 3 0 28 309.523 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(azocan-1-yl)-4-methyl-thiazol-5-yl]methanamine [2-(azocan-1-yl)-4-methyl-thiazo…

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 5.34 -44.53 3 3 1 44 240.396 2 ↓
Mid Mid (pH 6-8) 2.66 4.95 -6.23 2 3 0 42 239.388 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(azocan-1-yl)-4-tert-butyl-thiazol-5-yl]methanamine [2-(azocan-1-yl)-4-tert-butyl-th…

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) 4.38 7.33 -44.31 3 3 1 44 282.477 3 ↓
Mid Mid (pH 6-8) 4.38 7.01 -5.21 2 3 0 42 281.469 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(azocan-1-yl)-4-ethyl-thiazol-5-yl]methanamine [2-(azocan-1-yl)-4-ethyl-thiazol…

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) 3.23 6.13 -44.68 3 3 1 44 254.423 3 ↓
Mid Mid (pH 6-8) 3.23 5.85 -5.68 2 3 0 42 253.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(azocan-1-yl)-4-propyl-thiazol-5-yl]methanamine [2-(azocan-1-yl)-4-propyl-thiazo…

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) 3.73 7.01 -44.82 3 3 1 44 268.45 4 ↓
Mid Mid (pH 6-8) 3.73 6.56 -5.28 2 3 0 42 267.442 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(azocan-1-yl)-4-methyl-thiazol-5-yl]-N-methyl-methanamine 1-[2-(azocan-1-yl)-4-methyl-thia…

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) 3.03 7.22 -38.92 2 3 1 33 254.423 3 ↓
Hi High (pH 8-9.5) 3.03 5.77 -5.77 1 3 0 28 253.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(azocan-1-yl)-4-methyl-thiazol-5-yl]methyl]ethanamine N-[[2-(azocan-1-yl)-4-methyl-thi…

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) 3.41 8.1 -38.21 2 3 1 33 268.45 4 ↓
Hi High (pH 8-9.5) 3.41 6.73 -5.41 1 3 0 28 267.442 4 ↓

Parameters Provided:

ring.id = 157542
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 = 157542 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=157542&filter.purchasability=annotated

Embed Link to Results