Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_7ngc6huqm2afak9gvk7qunc3g1, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-[(3S,5R)-3,5-dimethyl-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) 2.16 7.27 -44.58 3 3 1 44 294.488 1 ↓
Hi High (pH 8-9.5) 2.16 6.94 -5.63 2 3 0 42 293.48 1 ↓
Mid Mid (pH 6-8) 2.16 7.66 -94.57 4 3 2 45 295.496 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-[(3S,5S)-3,5-dimethyl-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) 2.16 7.46 -44.5 3 3 1 44 294.488 1 ↓
Hi High (pH 8-9.5) 2.16 7.13 -5.79 2 3 0 42 293.48 1 ↓
Mid Mid (pH 6-8) 2.16 7.85 -94.43 4 3 2 45 295.496 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-[(3R,5R)-3,5-dimethyl-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) 2.16 7.45 -44.12 3 3 1 44 294.488 1 ↓
Hi High (pH 8-9.5) 2.16 7.12 -5.46 2 3 0 42 293.48 1 ↓
Mid Mid (pH 6-8) 2.16 7.84 -94.49 4 3 2 45 295.496 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(3S,5R)-3,5-dimethyl-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) 1.27 6.39 -44.06 3 3 1 44 266.434 1 ↓
Hi High (pH 8-9.5) 1.27 6.06 -5.99 2 3 0 42 265.426 1 ↓
Mid Mid (pH 6-8) 1.27 6.78 -92.85 4 3 2 45 267.442 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(3S,5S)-3,5-dimethyl-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) 1.27 6.58 -44.04 3 3 1 44 266.434 1 ↓
Hi High (pH 8-9.5) 1.27 6.26 -6.12 2 3 0 42 265.426 1 ↓
Mid Mid (pH 6-8) 1.27 6.97 -92.71 4 3 2 45 267.442 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(3R,5R)-3,5-dimethyl-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) 1.27 6.57 -43.66 3 3 1 44 266.434 1 ↓
Hi High (pH 8-9.5) 1.27 6.25 -5.89 2 3 0 42 265.426 1 ↓
Mid Mid (pH 6-8) 1.27 6.96 -92.82 4 3 2 45 267.442 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-5,5-dimethyl-2-(4-methyl-1-piperidyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-5,5-dimethyl-2-(4-methyl-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) 1.68 6.7 -44.88 3 3 1 44 280.461 1 ↓
Hi High (pH 8-9.5) 1.68 6.37 -5.74 2 3 0 42 279.453 1 ↓
Mid Mid (pH 6-8) 1.68 7.08 -94.07 4 3 2 45 281.469 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-5,5-dimethyl-2-(4-methyl-1-piperidyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7S)-5,5-dimethyl-2-(4-methyl-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) 1.68 6.7 -44.73 3 3 1 44 280.461 1 ↓
Hi High (pH 8-9.5) 1.68 6.38 -4.58 2 3 0 42 279.453 1 ↓
Mid Mid (pH 6-8) 1.68 7.08 -94.25 4 3 2 45 281.469 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-(4-methyl-1-piperidyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-(4-methyl-1-piperidyl)-4,…

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) 0.79 5.82 -44.37 3 3 1 44 252.407 1 ↓
Hi High (pH 8-9.5) 0.79 5.49 -6.11 2 3 0 42 251.399 1 ↓
Mid Mid (pH 6-8) 0.79 6.21 -92.46 4 3 2 45 253.415 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-(4-methyl-1-piperidyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-(4-methyl-1-piperidyl)-4,…

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) 0.79 5.82 -44.22 3 3 1 44 252.407 1 ↓
Hi High (pH 8-9.5) 0.79 5.5 -5.01 2 3 0 42 251.399 1 ↓
Mid Mid (pH 6-8) 0.79 6.21 -92.57 4 3 2 45 253.415 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-5,5-dimethyl-2-[(2R)-2-methyl-1-piperidyl]-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-5,5-dimethyl-2-[(2R)-2-meth…

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) 1.77 7.23 -43.34 3 3 1 44 280.461 1 ↓
Hi High (pH 8-9.5) 1.77 6.91 -5.12 2 3 0 42 279.453 1 ↓
Mid Mid (pH 6-8) 1.77 6.67 -95.72 4 3 2 45 281.469 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-5,5-dimethyl-2-[(2S)-2-methyl-1-piperidyl]-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-5,5-dimethyl-2-[(2S)-2-meth…

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) 1.77 7.23 -43.53 3 3 1 44 280.461 1 ↓
Hi High (pH 8-9.5) 1.77 6.91 -5.03 2 3 0 42 279.453 1 ↓
Mid Mid (pH 6-8) 1.77 6.65 -95.88 4 3 2 45 281.469 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(2R)-2-methyl-1-piperidyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(2R)-2-methyl-1-piperidy…

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) 0.88 6.35 -42.88 3 3 1 44 252.407 1 ↓
Hi High (pH 8-9.5) 0.88 6.03 -5.59 2 3 0 42 251.399 1 ↓
Mid Mid (pH 6-8) 0.88 5.79 -94.05 4 3 2 45 253.415 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(2S)-2-methyl-1-piperidyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(2S)-2-methyl-1-piperidy…

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) 0.88 6.35 -43.09 3 3 1 44 252.407 1 ↓
Hi High (pH 8-9.5) 0.88 6.03 -5.46 2 3 0 42 251.399 1 ↓
Mid Mid (pH 6-8) 0.88 5.77 -94.22 4 3 2 45 253.415 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-5,5-dimethyl-2-[(3R)-3-methyl-1-piperidyl]-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-5,5-dimethyl-2-[(3R)-3-meth…

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 6.68 -45.02 3 3 1 44 280.461 1 ↓
Hi High (pH 8-9.5) 1.68 6.36 -5.85 2 3 0 42 279.453 1 ↓
Mid Mid (pH 6-8) 1.68 7.07 -93.87 4 3 2 45 281.469 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-5,5-dimethyl-2-[(3S)-3-methyl-1-piperidyl]-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-5,5-dimethyl-2-[(3S)-3-meth…

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 6.68 -44.85 3 3 1 44 280.461 1 ↓
Hi High (pH 8-9.5) 1.68 6.36 -5.94 2 3 0 42 279.453 1 ↓
Mid Mid (pH 6-8) 1.68 7.07 -94 4 3 2 45 281.469 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(3R)-3-methyl-1-piperidyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(3R)-3-methyl-1-piperidy…

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) 0.79 5.81 -44.52 3 3 1 44 252.407 1 ↓
Hi High (pH 8-9.5) 0.79 5.48 -6.26 2 3 0 42 251.399 1 ↓
Mid Mid (pH 6-8) 0.79 6.19 -92.21 4 3 2 45 253.415 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(3S)-3-methyl-1-piperidyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(3S)-3-methyl-1-piperidy…

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) 0.79 5.81 -44.38 3 3 1 44 252.407 1 ↓
Hi High (pH 8-9.5) 0.79 5.48 -6.34 2 3 0 42 251.399 1 ↓
Mid Mid (pH 6-8) 0.79 6.19 -92.35 4 3 2 45 253.415 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-(1-piperidyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-(1-piperidyl)-4,5,6,7-tet…

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) 0.55 5.23 -44.47 3 3 1 44 238.38 1 ↓
Hi High (pH 8-9.5) 0.55 4.9 -6.3 2 3 0 42 237.372 1 ↓
Mid Mid (pH 6-8) 0.55 5.62 -91.75 4 3 2 45 239.388 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-(1-piperidyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-(1-piperidyl)-4,5,6,7-tet…

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) 0.55 5.23 -44.35 3 3 1 44 238.38 1 ↓
Hi High (pH 8-9.5) 0.55 4.91 -5.2 2 3 0 42 237.372 1 ↓
Mid Mid (pH 6-8) 0.55 5.62 -91.93 4 3 2 45 239.388 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(2R)-2-ethyl-1-piperidyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-[(2R)-2-ethyl-1-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) 2.31 7.84 -43.37 3 3 1 44 294.488 2 ↓
Hi High (pH 8-9.5) 2.31 7.51 -5.05 2 3 0 42 293.48 2 ↓
Mid Mid (pH 6-8) 2.31 7.02 -20.74 3 3 1 43 294.488 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(2S)-2-ethyl-1-piperidyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-[(2S)-2-ethyl-1-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) 2.31 7.83 -43.43 3 3 1 44 294.488 2 ↓
Hi High (pH 8-9.5) 2.31 7.5 -4.92 2 3 0 42 293.48 2 ↓
Mid Mid (pH 6-8) 2.31 7.03 -20.68 3 3 1 43 294.488 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(2R)-2-ethyl-1-piperidyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(2R)-2-ethyl-1-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) 1.42 6.96 -42.87 3 3 1 44 266.434 2 ↓
Hi High (pH 8-9.5) 1.42 6.63 -5.44 2 3 0 42 265.426 2 ↓
Mid Mid (pH 6-8) 1.42 6.48 -94.59 4 3 2 45 267.442 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(2S)-2-ethyl-1-piperidyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(2S)-2-ethyl-1-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) 1.42 6.95 -42.96 3 3 1 44 266.434 2 ↓
Hi High (pH 8-9.5) 1.42 6.62 -5.34 2 3 0 42 265.426 2 ↓
Mid Mid (pH 6-8) 1.42 6.49 -94.72 4 3 2 45 267.442 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-(4-methoxy-1-piperidyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-(4-methoxy-1-piperidyl)-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) 0.17 5.08 -46.26 3 4 1 53 296.46 2 ↓
Hi High (pH 8-9.5) 0.17 4.76 -7.1 2 4 0 51 295.452 2 ↓
Mid Mid (pH 6-8) 0.17 5.47 -97.37 4 4 2 54 297.468 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-(4-methoxy-1-piperidyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7S)-2-(4-methoxy-1-piperidyl)-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) 0.17 5.11 -46.24 3 4 1 53 296.46 2 ↓
Hi High (pH 8-9.5) 0.17 4.79 -5.84 2 4 0 51 295.452 2 ↓
Mid Mid (pH 6-8) 0.17 5.49 -97.4 4 4 2 54 297.468 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-(4-methoxy-1-piperidyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-(4-methoxy-1-piperidyl)-4…

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) -0.71 4.22 -45.85 3 4 1 53 268.406 2 ↓
Hi High (pH 8-9.5) -0.71 3.89 -7.48 2 4 0 51 267.398 2 ↓
Mid Mid (pH 6-8) -0.71 4.61 -95.63 4 4 2 54 269.414 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-(4-methoxy-1-piperidyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-(4-methoxy-1-piperidyl)-4…

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) -0.71 4.22 -46.29 3 4 1 53 268.406 2 ↓
Hi High (pH 8-9.5) -0.71 3.9 -6.31 2 4 0 51 267.398 2 ↓
Mid Mid (pH 6-8) -0.71 4.61 -95.19 4 4 2 54 269.414 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[4-(dimethylamino)-1-piperidyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-[4-(dimethylamino)-1-pipe…

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 7.08 -91.5 4 4 2 48 310.511 2 ↓
Hi High (pH 8-9.5) 0.95 6.76 -40.43 3 4 1 47 309.503 2 ↓
Mid Mid (pH 6-8) 0.95 7.15 -80.97 4 4 2 48 310.511 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-[4-(dimethylamino)-1-piperidyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7S)-2-[4-(dimethylamino)-1-pipe…

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 7.11 -91.55 4 4 2 48 310.511 2 ↓
Hi High (pH 8-9.5) 0.95 6.79 -40.16 3 4 1 47 309.503 2 ↓
Mid Mid (pH 6-8) 0.95 7.49 -163.69 5 4 3 49 311.519 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[4-(dimethylamino)-1-piperidyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[4-(dimethylamino)-1-pipe…

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 6.23 -90.78 4 4 2 48 282.457 2 ↓
Hi High (pH 8-9.5) 0.06 5.9 -40.89 3 4 1 47 281.449 2 ↓
Mid Mid (pH 6-8) 0.06 6.61 -161.12 5 4 3 49 283.465 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-[4-(dimethylamino)-1-piperidyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-[4-(dimethylamino)-1-pipe…

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 6.23 -89.74 4 4 2 48 282.457 2 ↓
Hi High (pH 8-9.5) 0.06 5.91 -40.45 3 4 1 47 281.449 2 ↓
Mid Mid (pH 6-8) 0.06 6.61 -162.09 5 4 3 49 283.465 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(3R)-3-ethyl-1-piperidyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-[(3R)-3-ethyl-1-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) 2.18 7.34 -44.85 3 3 1 44 294.488 2 ↓
Hi High (pH 8-9.5) 2.18 7.01 -5.79 2 3 0 42 293.48 2 ↓
Mid Mid (pH 6-8) 2.18 7.38 -21.92 3 3 1 43 294.488 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(3S)-3-ethyl-1-piperidyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-[(3S)-3-ethyl-1-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) 2.18 7.34 -44.68 3 3 1 44 294.488 2 ↓
Hi High (pH 8-9.5) 2.18 7.01 -5.86 2 3 0 42 293.48 2 ↓
Mid Mid (pH 6-8) 2.18 7.38 -21.85 3 3 1 43 294.488 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(3R)-3-ethyl-1-piperidyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(3R)-3-ethyl-1-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) 1.29 6.46 -44.26 3 3 1 44 266.434 2 ↓
Hi High (pH 8-9.5) 1.29 6.13 -6.17 2 3 0 42 265.426 2 ↓
Mid Mid (pH 6-8) 1.29 6.83 -92.71 4 3 2 45 267.442 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(3S)-3-ethyl-1-piperidyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(3S)-3-ethyl-1-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) 1.29 6.46 -44.25 3 3 1 44 266.434 2 ↓
Hi High (pH 8-9.5) 1.29 6.13 -6.22 2 3 0 42 265.426 2 ↓
Mid Mid (pH 6-8) 1.29 6.83 -92.9 4 3 2 45 267.442 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(2R,3R)-2,3-dimethyl-1-piperidyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-[(2R,3R)-2,3-dimethyl-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) 2.01 7.1 -44.79 3 3 1 44 294.488 1 ↓
Hi High (pH 8-9.5) 2.01 6.78 -6.11 2 3 0 42 293.48 1 ↓
Mid Mid (pH 6-8) 2.01 7.16 -21.03 3 3 1 43 294.488 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(2R,3S)-2,3-dimethyl-1-piperidyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-[(2R,3S)-2,3-dimethyl-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) 2.01 7.69 -43.36 3 3 1 44 294.488 1 ↓
Hi High (pH 8-9.5) 2.01 7.36 -5.02 2 3 0 42 293.48 1 ↓
Mid Mid (pH 6-8) 2.01 7.11 -96.42 4 3 2 45 295.496 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(2R,3R)-2,3-dimethyl-1-piperidyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(2R,3R)-2,3-dimethyl-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) 1.12 6.23 -44.23 3 3 1 44 266.434 1 ↓
Hi High (pH 8-9.5) 1.12 5.9 -6.51 2 3 0 42 265.426 1 ↓
Mid Mid (pH 6-8) 1.12 6.61 -91.75 4 3 2 45 267.442 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(2R,3S)-2,3-dimethyl-1-piperidyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(2R,3S)-2,3-dimethyl-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) 1.12 6.81 -42.9 3 3 1 44 266.434 1 ↓
Hi High (pH 8-9.5) 1.12 6.49 -5.43 2 3 0 42 265.426 1 ↓
Mid Mid (pH 6-8) 1.12 6.23 -94.66 4 3 2 45 267.442 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(2R,4R)-2,4-dimethyl-1-piperidyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-[(2R,4R)-2,4-dimethyl-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) 2.01 7.83 -43.27 3 3 1 44 294.488 1 ↓
Hi High (pH 8-9.5) 2.01 7.5 -4.89 2 3 0 42 293.48 1 ↓
Mid Mid (pH 6-8) 2.01 6.91 -21.02 3 3 1 43 294.488 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(2R,4S)-2,4-dimethyl-1-piperidyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-[(2R,4S)-2,4-dimethyl-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) 2.01 7.24 -44.64 3 3 1 44 294.488 1 ↓
Hi High (pH 8-9.5) 2.01 6.92 -5.91 2 3 0 42 293.48 1 ↓
Mid Mid (pH 6-8) 2.01 7.31 -21.31 3 3 1 43 294.488 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(2R,4R)-2,4-dimethyl-1-piperidyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(2R,4R)-2,4-dimethyl-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) 1.12 6.95 -42.84 3 3 1 44 266.434 1 ↓
Hi High (pH 8-9.5) 1.12 6.62 -5.34 2 3 0 42 265.426 1 ↓
Mid Mid (pH 6-8) 1.12 6.37 -94.55 4 3 2 45 267.442 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(2R,4S)-2,4-dimethyl-1-piperidyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(2R,4S)-2,4-dimethyl-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) 1.12 6.37 -44.13 3 3 1 44 266.434 1 ↓
Hi High (pH 8-9.5) 1.12 6.04 -6.34 2 3 0 42 265.426 1 ↓
Mid Mid (pH 6-8) 1.12 6.76 -92.02 4 3 2 45 267.442 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-(4-tert-butyl-1-piperidyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-(4-tert-butyl-1-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) 2.12 7.19 -44.16 3 3 1 44 294.488 2 ↓
Hi High (pH 8-9.5) 2.12 6.87 -5.86 2 3 0 42 293.48 2 ↓
Mid Mid (pH 6-8) 2.12 7.58 -93.82 4 3 2 45 295.496 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-(4-tert-butyl-1-piperidyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-(4-tert-butyl-1-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) 2.12 7.2 -44.21 3 3 1 44 294.488 2 ↓
Hi High (pH 8-9.5) 2.12 6.88 -4.68 2 3 0 42 293.48 2 ↓
Mid Mid (pH 6-8) 2.12 7.58 -93.8 4 3 2 45 295.496 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-5,5-dimethyl-2-(4-propyl-1-piperidyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-5,5-dimethyl-2-(4-propyl-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) 2.92 8.11 -44.7 3 3 1 44 308.515 3 ↓
Hi High (pH 8-9.5) 2.92 7.78 -5.71 2 3 0 42 307.507 3 ↓
Mid Mid (pH 6-8) 2.92 8.49 -94.94 4 3 2 45 309.523 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-5,5-dimethyl-2-(4-propyl-1-piperidyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7S)-5,5-dimethyl-2-(4-propyl-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) 2.92 8.1 -44.68 3 3 1 44 308.515 3 ↓
Hi High (pH 8-9.5) 2.92 7.78 -4.48 2 3 0 42 307.507 3 ↓
Mid Mid (pH 6-8) 2.92 8.5 -94.9 4 3 2 45 309.523 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-(4-propyl-1-piperidyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-(4-propyl-1-piperidyl)-4,…

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) 2.04 7.23 -44.23 3 3 1 44 280.461 3 ↓
Hi High (pH 8-9.5) 2.04 6.9 -6.14 2 3 0 42 279.453 3 ↓
Mid Mid (pH 6-8) 2.04 7.62 -93.23 4 3 2 45 281.469 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-(4-propyl-1-piperidyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-(4-propyl-1-piperidyl)-4,…

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) 2.04 7.23 -44.33 3 3 1 44 280.461 3 ↓
Hi High (pH 8-9.5) 2.04 6.91 -4.86 2 3 0 42 279.453 3 ↓
Mid Mid (pH 6-8) 2.04 7.62 -93.1 4 3 2 45 281.469 3 ↓

Parameters Provided:

ring.id = 157634
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 = 157634 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=157634&filter.purchasability=annotated

Embed Link to Results