UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43467115
43467115

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,3-benzothiazol-2-yl)-N-isopentyl-piperidine-1-carboxamide 4-(1,3-benzothiazol-2-yl)-N-isop…

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) 4.36 8.58 -13.46 1 4 0 45 331.485 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]prop-2-en-1-one 1-[4-(1,3-benzothiazol-2-yl)-1-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) 2.47 7.27 -13.65 0 3 0 33 272.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-isopropylsulfonyl-4-piperidyl)-1,3-benzothiazole 2-(1-isopropylsulfonyl-4-piperid…

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) 2.62 5.95 -16.96 0 4 0 50 324.471 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-chloro-2-methyl-propan-1-one (2R)-1-[4-(1,3-benzothiazol-2-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) 3.18 8.53 -11.75 0 3 0 33 322.861 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-chloro-2-methyl-propan-1-one (2S)-1-[4-(1,3-benzothiazol-2-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) 3.18 8.63 -11.21 0 3 0 33 322.861 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-bromo-butan-1-one (2S)-1-[4-(1,3-benzothiazol-2-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) 3.43 8.8 -12.62 0 3 0 33 367.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-bromo-butan-1-one (2R)-1-[4-(1,3-benzothiazol-2-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) 3.43 8.81 -12.89 0 3 0 33 367.312 3 ↓

Analogs

9054169
9054169

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-3-methyl-pentanoic (2S,3S)-2-[[4-(1,3-benzothiazol-…

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 8.61 -59.11 1 6 -1 85 374.486 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-4-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-4-oxo-but-2-enoic (E)-4-[4-(1,3-benzothiazol-2-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) 1.59 7.09 -52.35 0 5 -1 73 315.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-N-methyl-oxamide N'-[2-[4-(1,3-benzothiazol-2-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) 0.04 2.89 -15.3 2 7 0 91 360.439 4 ↓

Analogs

25845318
25845318
25845603
25845603
25845606
25845606
26034126
26034126
30892240
30892240

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidyl]-4-methyl-pentan-1-one 1-[4-(5-chloro-1,3-benzothiazol-…

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) 4.40 10.15 -10.81 0 3 0 33 350.915 4 ↓

Analogs

14259469
14259469

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-N-(isobutylcarbamoyl)propanamide (2R)-2-[4-(1,3-benzothiazol-2-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) 2.71 9.08 -56.02 3 6 1 76 389.545 5 ↓
Hi High (pH 8-9.5) 2.71 6.82 -24.07 2 6 0 74 388.537 5 ↓

Analogs

14259468
14259468

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-N-(isobutylcarbamoyl)propanamide (2S)-2-[4-(1,3-benzothiazol-2-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) 2.71 9.07 -56.03 3 6 1 76 389.545 5 ↓
Hi High (pH 8-9.5) 2.71 6.87 -24.11 2 6 0 74 388.537 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methylpiperidin-4-yl)-1,3-benzothiazole hydrochloride 2-(4-methylpiperidin-4-yl)-1,3-b…

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 5.77 -44.89 2 2 1 29 233.36 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-(4-methyl-4-piperidyl)-1,3-benzothiazole 5-chloro-2-(4-methyl-4-piperidyl…

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 6.26 -44.83 2 2 1 29 267.805 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methyl-4-piperidyl)-5-(trifluoromethyl)-1,3-benzothiazole 2-(4-methyl-4-piperidyl)-5-(trif…

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 6.72 -48.27 2 2 1 29 301.357 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-2-(4-methyl-4-piperidyl)-1,3-benzothiazole 5-methyl-2-(4-methyl-4-piperidyl…

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) 2.96 6.4 -47.11 2 2 1 29 247.387 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-2-(4-methyl-4-piperidyl)-1,3-benzothiazole 5-fluoro-2-(4-methyl-4-piperidyl…

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 5.83 -45.38 2 2 1 29 251.35 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-(4-methyl-4-piperidyl)-1,3-benzothiazole 5-bromo-2-(4-methyl-4-piperidyl)…

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) 3.32 6.37 -44.77 2 2 1 29 312.256 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-(4-methyl-4-piperidyl)-1,3-benzothiazole 7-chloro-2-(4-methyl-4-piperidyl…

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) 3.17 6.25 -46.94 2 2 1 29 267.805 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-propyl-4-piperidyl)-1,3-benzothiazole 2-(4-propyl-4-piperidyl)-1,3-ben…

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) 3.42 6.9 -46.11 2 2 1 29 261.414 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-ethyl-4-piperidyl)-1,3-benzothiazole 2-(4-ethyl-4-piperidyl)-1,3-benz…

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 6.14 -45.71 2 2 1 29 247.387 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-(4-propyl-4-piperidyl)-1,3-benzothiazole 5-chloro-2-(4-propyl-4-piperidyl…

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) 4.07 7.46 -49.24 2 2 1 29 295.859 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-(4-ethyl-4-piperidyl)-1,3-benzothiazole 5-chloro-2-(4-ethyl-4-piperidyl)…

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 6.71 -48.65 2 2 1 29 281.832 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-ethyl-4-piperidyl)-5-(trifluoromethyl)-1,3-benzothiazole 2-(4-ethyl-4-piperidyl)-5-(trifl…

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 7.68 -48.74 2 2 1 29 315.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-2-(4-propyl-4-piperidyl)-1,3-benzothiazole 5-methyl-2-(4-propyl-4-piperidyl…

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 8.11 -47.62 2 2 1 29 275.441 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-ethyl-4-piperidyl)-5-methyl-1,3-benzothiazole 2-(4-ethyl-4-piperidyl)-5-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) 3.28 7.36 -47.26 2 2 1 29 261.414 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-2-(4-propyl-4-piperidyl)-1,3-benzothiazole 5-fluoro-2-(4-propyl-4-piperidyl…

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) 3.56 7.03 -50.05 2 2 1 29 279.404 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-ethyl-4-piperidyl)-5-fluoro-1,3-benzothiazole 2-(4-ethyl-4-piperidyl)-5-fluoro…

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) 3.00 6.2 -46.12 2 2 1 29 265.377 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-(4-propyl-4-piperidyl)-1,3-benzothiazole 5-bromo-2-(4-propyl-4-piperidyl)…

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) 4.20 7.57 -49.16 2 2 1 29 340.31 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-(4-ethyl-4-piperidyl)-1,3-benzothiazole 5-bromo-2-(4-ethyl-4-piperidyl)-…

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) 3.64 6.81 -48.59 2 2 1 29 326.283 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-(4-propyl-4-piperidyl)-1,3-benzothiazole 7-chloro-2-(4-propyl-4-piperidyl…

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) 4.05 7.47 -48.72 2 2 1 29 295.859 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-(4-ethyl-4-piperidyl)-1,3-benzothiazole 7-chloro-2-(4-ethyl-4-piperidyl)…

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) 3.49 6.73 -48.11 2 2 1 29 281.832 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 2.12 5.09 -13.58 1 6 0 72 367.858 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-oxo-propyl]-2,2-dimethyl-propanamide N-[3-[4-(1,3-benzothiazol-2-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) 3.23 7.92 -22.22 1 5 0 62 373.522 5 ↓

Analogs

31887443
31887443

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]butanenitrile (3S)-3-[4-(1,3-benzothiazol-2-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) 2.29 9.18 -48.75 1 3 1 41 286.424 3 ↓
Hi High (pH 8-9.5) 2.29 7.25 -14.27 0 3 0 40 285.416 3 ↓

Analogs

31887443
31887443

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]butanenitrile (3R)-3-[4-(1,3-benzothiazol-2-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) 2.29 9.19 -48.71 1 3 1 41 286.424 3 ↓
Hi High (pH 8-9.5) 2.29 7.25 -14.28 0 3 0 40 285.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-2-(piperidin-4-yl)-1,3-benzothiazole 5-methyl-2-(piperidin-4-yl)-1,3-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.33 6.18 -46.74 2 2 1 29 233.36 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-2-(piperidin-4-yl)-1,3-benzothiazole 5-fluoro-2-(piperidin-4-yl)-1,3-…

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 5.59 -48.11 2 2 1 29 237.323 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-(piperidin-4-yl)-1,3-benzothiazole 5-bromo-2-(piperidin-4-yl)-1,3-b…

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) 2.70 6.13 -47.24 2 2 1 29 298.229 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-(4-piperidyl)-1,3-benzothiazole 7-chloro-2-(4-piperidyl)-1,3-ben…

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 6.06 -44.96 2 2 1 29 253.778 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[6-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-6-oxo-hexyl]acetamide N-[6-[4-(1,3-benzothiazol-2-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) 2.52 8.24 -19.06 1 5 0 62 373.522 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-methylsulfanyl-ethanone 1-[4-(1,3-benzothiazol-2-yl)-1-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) 2.35 8.03 -15.33 0 3 0 33 306.456 3 ↓

Analogs

42051153
42051153

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-1-methyl-2-oxo-ethyl]urea [(1S)-2-[4-(1,3-benzothiazol-2-y…

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 3.03 -14.4 3 6 0 88 332.429 3 ↓

Analogs

42051151
42051151

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-1-methyl-2-oxo-ethyl]urea [(1R)-2-[4-(1,3-benzothiazol-2-y…

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 3.09 -14.15 3 6 0 88 332.429 3 ↓

Parameters Provided:

ring.id = 70524
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 = 70524 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=70524&filter.purchasability=annotated

Embed Link to Results