UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-5-(4-thiazol-2-ylpiperazin-1-yl)aniline 2-methyl-5-(4-thiazol-2-ylpipera…

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) 2.54 6.09 -6.67 2 4 0 45 274.393 2 ↓
Lo Low (pH 4.5-6) 2.54 6.54 -29.72 3 4 1 47 275.401 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-fluoro-6-(4-thiazol-2-ylpiperazin-1-yl)phenyl]ethanol (1S)-1-[2-fluoro-6-(4-thiazol-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) 2.32 6.58 -8.32 1 4 0 40 307.394 3 ↓
Lo Low (pH 4.5-6) 2.32 7.03 -33.68 2 4 1 41 308.402 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-fluoro-6-(4-thiazol-2-ylpiperazin-1-yl)phenyl]ethanol (1R)-1-[2-fluoro-6-(4-thiazol-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) 2.32 6.59 -8.6 1 4 0 40 307.394 3 ↓
Lo Low (pH 4.5-6) 2.32 7.04 -33.67 2 4 1 41 308.402 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-(4-thiazol-2-ylpiperazin-1-yl)phenyl]ethanol (1S)-1-[4-(4-thiazol-2-ylpiperaz…

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) 2.25 5.63 -7.73 1 4 0 40 289.404 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-(4-thiazol-2-ylpiperazin-1-yl)phenyl]ethanol (1R)-1-[4-(4-thiazol-2-ylpiperaz…

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) 2.25 5.58 -7.68 1 4 0 40 289.404 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-fluoro-2-(4-thiazol-2-ylpiperazin-1-yl)phenyl]ethanol (1S)-1-[5-fluoro-2-(4-thiazol-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) 2.34 6.25 -6.86 1 4 0 40 307.394 3 ↓
Lo Low (pH 4.5-6) 2.34 6.7 -32.62 2 4 1 41 308.402 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-fluoro-2-(4-thiazol-2-ylpiperazin-1-yl)phenyl]ethanol (1R)-1-[5-fluoro-2-(4-thiazol-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) 2.34 6.26 -6.84 1 4 0 40 307.394 3 ↓
Lo Low (pH 4.5-6) 2.34 6.71 -32.6 2 4 1 41 308.402 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-fluoro-4-(4-thiazol-2-ylpiperazin-1-yl)phenyl]ethanol (1S)-1-[3-fluoro-4-(4-thiazol-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) 2.34 6.12 -7.78 1 4 0 40 307.394 3 ↓
Lo Low (pH 4.5-6) 2.34 6.56 -29.61 2 4 1 41 308.402 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-fluoro-4-(4-thiazol-2-ylpiperazin-1-yl)phenyl]ethanol (1R)-1-[3-fluoro-4-(4-thiazol-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) 2.34 6.07 -7.87 1 4 0 40 307.394 3 ↓
Lo Low (pH 4.5-6) 2.34 6.52 -29.76 2 4 1 41 308.402 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-nitro-2-(4-thiazol-2-ylpiperazin-1-yl)aniline 5-nitro-2-(4-thiazol-2-ylpiperaz…

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) 2.05 6.89 -9.02 2 7 0 91 305.363 3 ↓
Lo Low (pH 4.5-6) 2.05 7.34 -36.29 3 7 1 92 306.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-chloro-2-(4-thiazol-2-ylpiperazin-1-yl)phenyl]methanamine [5-chloro-2-(4-thiazol-2-ylpiper…

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) 2.47 6.72 -49.74 3 4 1 47 309.846 3 ↓
Lo Low (pH 4.5-6) 2.47 7.16 -93.02 4 4 2 48 310.854 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-(4-thiazol-2-ylpiperazin-1-yl)benzenecarbothioamide 5-chloro-2-(4-thiazol-2-ylpipera…

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) 3.09 7.78 -11.71 2 4 0 45 338.889 3 ↓
Lo Low (pH 4.5-6) 3.09 8.23 -29.41 3 4 1 47 339.897 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-(4-thiazol-2-ylpiperazin-1-yl)benzonitrile 5-chloro-2-(4-thiazol-2-ylpipera…

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 8.98 -9.7 0 4 0 43 304.806 2 ↓
Lo Low (pH 4.5-6) 3.04 9.44 -32.7 1 4 1 44 305.814 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-(4-thiazol-2-ylpiperazin-1-yl)benzamidine 5-chloro-2-(4-thiazol-2-ylpipera…

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 6.26 -36.4 4 5 1 71 322.845 3 ↓
Hi High (pH 8-9.5) 1.68 7.32 -6.57 3 5 0 69 321.837 3 ↓
Lo Low (pH 4.5-6) 1.68 6.69 -79.18 5 5 2 72 323.853 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-(4-thiazol-2-ylpiperazin-1-yl)benzenecarbothioamide 2-chloro-6-(4-thiazol-2-ylpipera…

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) 3.06 7.73 -13.94 2 4 0 45 338.889 3 ↓
Lo Low (pH 4.5-6) 3.06 8.18 -37.54 3 4 1 47 339.897 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-(4-thiazol-2-ylpiperazin-1-yl)benzamidine 2-chloro-6-(4-thiazol-2-ylpipera…

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) 1.65 5.87 -33.6 4 5 1 71 322.845 3 ↓
Mid Mid (pH 6-8) 1.65 5.87 -8.3 3 5 0 69 321.837 3 ↓
Lo Low (pH 4.5-6) 1.65 6.32 -75.56 5 5 2 72 323.853 3 ↓

Analogs

42802356
42802356

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-(4-thiazol-2-ylpiperazin-1-yl)benzoic 2-chloro-6-(4-thiazol-2-ylpipera…

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 5.71 -59.51 0 5 -1 59 322.797 3 ↓
Lo Low (pH 4.5-6) 2.84 6.11 -63.46 1 5 0 61 323.805 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-fluoro-6-(4-thiazol-2-ylpiperazin-1-yl)phenyl]ethanone 1-[2-fluoro-6-(4-thiazol-2-ylpip…

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) 2.65 6.16 -11.02 0 4 0 36 305.378 3 ↓
Lo Low (pH 4.5-6) 2.65 6.56 -35.59 1 4 1 38 306.386 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-fluoro-2-(4-thiazol-2-ylpiperazin-1-yl)phenyl]ethanone 1-[5-fluoro-2-(4-thiazol-2-ylpip…

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) 2.67 6.88 -8.73 0 4 0 36 305.378 3 ↓
Lo Low (pH 4.5-6) 2.67 7.29 -30.99 1 4 1 38 306.386 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-thiazol-2-ylpiperazin-1-yl)benzenecarbothioamide 4-(4-thiazol-2-ylpiperazin-1-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) 2.48 4.32 -17.5 2 4 0 45 304.444 3 ↓
Lo Low (pH 4.5-6) 2.48 4.72 -46.41 3 4 1 47 305.452 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-hydroxy-4-(4-thiazol-2-ylpiperazin-1-yl)benzamidine N'-hydroxy-4-(4-thiazol-2-ylpipe…

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) 1.00 1.97 -11.75 3 6 0 78 303.391 3 ↓
Lo Low (pH 4.5-6) 1.00 2.36 -39.3 4 6 1 79 304.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-hydroxy-2-(4-thiazol-2-ylpiperazin-1-yl)benzamidine N'-hydroxy-2-(4-thiazol-2-ylpipe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.95 3.5 -10.31 3 6 0 78 303.391 3 ↓
Lo Low (pH 4.5-6) 0.95 3.9 -32.92 4 6 1 79 304.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]thiazole-5-carbaldehyde 2-[4-(2-fluorophenyl)piperazin-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) 2.83 7.84 -10.1 0 4 0 36 291.351 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]thiazol-5-yl]ethanone 1-[2-[4-(2-fluorophenyl)piperazi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.94 8.57 -10.1 0 4 0 36 305.378 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-chlorophenyl)piperazin-1-yl]thiazole-5-carbaldehyde 2-[4-(4-chlorophenyl)piperazin-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) 3.39 7.87 -9.76 0 4 0 36 307.806 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]thiazol-5-yl]ethanone 1-[2-[4-(4-chlorophenyl)piperazi…

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) 3.50 8.59 -10.91 0 4 0 36 321.833 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]thiazole-5-carbaldehyde 2-[4-(2,3-dimethylphenyl)piperaz…

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) 3.51 9.37 -7.99 0 4 0 36 301.415 3 ↓
Mid Mid (pH 6-8) 3.51 9.26 -43.65 1 4 1 38 302.423 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-phenylpiperazin-1-yl)thiazol-5-yl]ethanone 1-[2-(4-phenylpiperazin-1-yl)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) 2.82 8.07 -10.19 0 4 0 36 287.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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 8.67 -8.79 0 4 0 36 301.415 3 ↓
Lo Low (pH 4.5-6) 3.04 9.07 -32.56 1 4 1 38 302.423 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(m-tolyl)piperazin-1-yl]thiazole-5-carbaldehyde 2-[4-(m-tolyl)piperazin-1-yl]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) 3.14 8.02 -9.09 0 4 0 36 287.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(m-tolyl)piperazin-1-yl]thiazol-5-yl]ethanone 1-[2-[4-(m-tolyl)piperazin-1-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) 3.25 8.8 -10.31 0 4 0 36 301.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]thiazole-5-carbaldehyde 2-[4-(4-methoxyphenyl)piperazin-…

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 6.64 -10.78 0 5 0 46 303.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]thiazole-5-carbaldehyde 2-[4-(4-fluorophenyl)piperazin-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) 2.88 7.42 -10.61 0 4 0 36 291.351 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]thiazol-5-yl]ethanone 1-[2-[4-(4-fluorophenyl)piperazi…

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) 2.98 8.13 -11.64 0 4 0 36 305.378 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]thiazole-5-carbaldehyde 2-[4-(3-chlorophenyl)piperazin-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) 3.37 7.86 -9.91 0 4 0 36 307.806 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]thiazol-5-yl]ethanone 1-[2-[4-(3-chlorophenyl)piperazi…

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 8.58 -10.72 0 4 0 36 321.833 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]thiazole-5-carbaldehyde 2-[4-(2-methoxyphenyl)piperazin-…

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) 2.72 7.14 -9.65 0 5 0 46 303.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]thiazole-5-carbaldehyde 2-[4-(3-methoxyphenyl)piperazin-…

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 6.65 -10.89 0 5 0 46 303.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2-chlorophenyl)piperazin-1-yl]thiazole-5-carbaldehyde 2-[4-(2-chlorophenyl)piperazin-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) 3.34 8.53 -9.01 0 4 0 36 307.806 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]thiazol-5-yl]ethanone 1-[2-[4-(2-chlorophenyl)piperazi…

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) 3.45 9.15 -9.34 0 4 0 36 321.833 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.22 6.15 -47.59 3 4 1 47 293.391 3 ↓
Mid Mid (pH 6-8) 2.22 5.74 -7.55 2 4 0 45 292.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]thiazol-5-yl]ethanamine (1S)-1-[2-[4-(2-fluorophenyl)pip…

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) 0.90 6.82 -45 3 4 1 47 307.418 3 ↓
Mid Mid (pH 6-8) 0.90 6.49 -5.74 2 4 0 45 306.41 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]thiazol-5-yl]ethanamine (1R)-1-[2-[4-(2-fluorophenyl)pip…

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) 0.90 6.83 -45.36 3 4 1 47 307.418 3 ↓
Mid Mid (pH 6-8) 0.90 6.5 -6.52 2 4 0 45 306.41 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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 6.17 -48.12 3 4 1 47 309.846 3 ↓
Mid Mid (pH 6-8) 2.78 5.77 -6.74 2 4 0 45 308.838 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]thiazol-5-yl]ethanamine (1S)-1-[2-[4-(4-chlorophenyl)pip…

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) 1.47 6.84 -46.73 3 4 1 47 323.873 3 ↓
Mid Mid (pH 6-8) 1.47 6.52 -6.66 2 4 0 45 322.865 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]thiazol-5-yl]ethanamine (1R)-1-[2-[4-(4-chlorophenyl)pip…

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) 1.47 6.84 -46.77 3 4 1 47 323.873 3 ↓
Mid Mid (pH 6-8) 1.47 6.5 -6.33 2 4 0 45 322.865 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]thiazol-5-yl]methanamine [2-[4-(2,3-dimethylphenyl)pipera…

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) 2.91 7.67 -45.76 3 4 1 47 303.455 3 ↓
Hi High (pH 8-9.5) 2.91 7.26 -5.4 2 4 0 45 302.447 3 ↓
Mid Mid (pH 6-8) 2.91 7.57 -90.2 4 4 2 48 304.463 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-methyl-2-(4-phenylpiperazin-1-yl)thiazol-5-yl]ethanamine (1R)-1-[4-methyl-2-(4-phenylpipe…

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) 1.01 6.83 -46.2 3 4 1 47 303.455 3 ↓
Mid Mid (pH 6-8) 1.01 6.48 -6.39 2 4 0 45 302.447 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-methyl-2-(4-phenylpiperazin-1-yl)thiazol-5-yl]ethanamine (1S)-1-[4-methyl-2-(4-phenylpipe…

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) 1.01 6.83 -46.12 3 4 1 47 303.455 3 ↓
Mid Mid (pH 6-8) 1.01 6.5 -6.73 2 4 0 45 302.447 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-phenylpiperazin-1-yl)thiazol-5-yl]methanamine [2-(4-phenylpiperazin-1-yl)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) 2.11 5.64 -47.32 3 4 1 47 275.401 3 ↓
Mid Mid (pH 6-8) 2.11 5.24 -6.33 2 4 0 45 274.393 3 ↓

Parameters Provided:

ring.id = 5493
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 = 5493 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=5493&filter.purchasability=annotated

Embed Link to Results