Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_hfktvunm94q6tpf6qnovsnr3i7, 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)-N2-[(1S)-1-cyclopropylethyl]-N2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7R)-N2-[(1S)-1-cyclopropylethyl…

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) 1.73 6.94 -44.71 3 3 1 44 280.461 3 ↓
Hi High (pH 8-9.5) 1.73 6.62 -5.96 2 3 0 42 279.453 3 ↓
Mid Mid (pH 6-8) 1.73 7.27 -93.38 4 3 2 45 281.469 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-[(1R)-1-cyclopropylethyl]-N2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7R)-N2-[(1R)-1-cyclopropylethyl…

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) 1.73 7 -44.89 3 3 1 44 280.461 3 ↓
Hi High (pH 8-9.5) 1.73 6.68 -5.99 2 3 0 42 279.453 3 ↓
Mid Mid (pH 6-8) 1.73 7.33 -93.5 4 3 2 45 281.469 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-[(1S)-1-cyclopropylethyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-[(1S)-1-cyclopropylethyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.84 6.07 -44.15 3 3 1 44 252.407 3 ↓
Hi High (pH 8-9.5) 0.84 5.74 -6.34 2 3 0 42 251.399 3 ↓
Mid Mid (pH 6-8) 0.84 6.39 -91.78 4 3 2 45 253.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-[(1R)-1-cyclopropylethyl]-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-[(1R)-1-cyclopropylethyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.84 6.12 -44.41 3 3 1 44 252.407 3 ↓
Hi High (pH 8-9.5) 0.84 5.8 -6.41 2 3 0 42 251.399 3 ↓
Mid Mid (pH 6-8) 0.84 6.45 -91.88 4 3 2 45 253.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-(cyclopropylmethyl)-N2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7R)-N2-(cyclopropylmethyl)-N2,5…

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) 1.40 6.58 -44.68 3 3 1 44 266.434 3 ↓
Hi High (pH 8-9.5) 1.40 6.25 -5.82 2 3 0 42 265.426 3 ↓
Mid Mid (pH 6-8) 1.40 6.98 -93.52 4 3 2 45 267.442 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-(cyclopropylmethyl)-N2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7S)-N2-(cyclopropylmethyl)-N2,5…

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) 1.40 6.58 -44.59 3 3 1 44 266.434 3 ↓
Hi High (pH 8-9.5) 1.40 6.26 -4.7 2 3 0 42 265.426 3 ↓
Mid Mid (pH 6-8) 1.40 6.99 -93.85 4 3 2 45 267.442 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-(cyclopropylmethyl)-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-(cyclopropylmethyl)-N2-m…

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) 0.51 5.7 -44.49 3 3 1 44 238.38 3 ↓
Hi High (pH 8-9.5) 0.51 5.37 -6.66 2 3 0 42 237.372 3 ↓
Mid Mid (pH 6-8) 0.51 6.11 -92.06 4 3 2 45 239.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-(cyclopropylmethyl)-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-(cyclopropylmethyl)-N2-m…

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) 0.51 5.7 -44.58 3 3 1 44 238.38 3 ↓
Hi High (pH 8-9.5) 0.51 5.38 -5.49 2 3 0 42 237.372 3 ↓
Mid Mid (pH 6-8) 0.51 6.11 -91.87 4 3 2 45 239.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-(cyclopropylmethyl)-5,5-dimethyl-N2-propyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7R)-N2-(cyclopropylmethyl)-5,5-…

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) 2.28 8.28 -43.93 3 3 1 44 294.488 5 ↓
Hi High (pH 8-9.5) 2.28 7.95 -5.31 2 3 0 42 293.48 5 ↓
Mid Mid (pH 6-8) 2.28 8.69 -94.48 4 3 2 45 295.496 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-(cyclopropylmethyl)-5,5-dimethyl-N2-propyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7S)-N2-(cyclopropylmethyl)-5,5-…

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) 2.28 8.28 -44.33 3 3 1 44 294.488 5 ↓
Hi High (pH 8-9.5) 2.28 7.96 -4.54 2 3 0 42 293.48 5 ↓
Mid Mid (pH 6-8) 2.28 8.69 -94.23 4 3 2 45 295.496 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-(cyclopropylmethyl)-N2-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-(cyclopropylmethyl)-N2-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) 1.39 7.4 -43.79 3 3 1 44 266.434 5 ↓
Hi High (pH 8-9.5) 1.39 7.08 -6.07 2 3 0 42 265.426 5 ↓
Mid Mid (pH 6-8) 1.39 7.81 -92.69 4 3 2 45 267.442 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-(cyclopropylmethyl)-N2-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-(cyclopropylmethyl)-N2-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) 1.39 7.4 -43.41 3 3 1 44 266.434 5 ↓
Hi High (pH 8-9.5) 1.39 7.08 -4.6 2 3 0 42 265.426 5 ↓
Mid Mid (pH 6-8) 1.39 7.81 -92.54 4 3 2 45 267.442 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-[(1S)-1-cyclopropylethyl]-N2-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diami (7R)-N2-[(1S)-1-cyclopropylethyl…

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) 0.83 6.37 -42.11 3 4 1 53 296.46 6 ↓
Hi High (pH 8-9.5) 0.83 6.03 -6.85 2 4 0 51 295.452 6 ↓
Mid Mid (pH 6-8) 0.83 6.09 -89.44 4 4 2 54 297.468 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-[(1R)-1-cyclopropylethyl]-N2-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diami (7R)-N2-[(1R)-1-cyclopropylethyl…

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) 0.83 6.45 -42.84 3 4 1 53 296.46 6 ↓
Hi High (pH 8-9.5) 0.83 6.12 -7.63 2 4 0 51 295.452 6 ↓
Mid Mid (pH 6-8) 0.83 6.24 -88.92 4 4 2 54 297.468 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-(cyclopropylmethyl)-N2-isopropyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7R)-N2-(cyclopropylmethyl)-N2-i…

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) 2.07 7.64 -44.24 3 3 1 44 294.488 4 ↓
Hi High (pH 8-9.5) 2.07 7.3 -6.34 2 3 0 42 293.48 4 ↓
Mid Mid (pH 6-8) 2.07 8.61 -93 4 3 2 45 295.496 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-(cyclopropylmethyl)-N2-isopropyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7S)-N2-(cyclopropylmethyl)-N2-i…

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) 2.07 7.64 -44.51 3 3 1 44 294.488 4 ↓
Hi High (pH 8-9.5) 2.07 7.31 -5.13 2 3 0 42 293.48 4 ↓
Mid Mid (pH 6-8) 2.07 8.61 -92.73 4 3 2 45 295.496 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-(cyclopropylmethyl)-N2-isopropyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-(cyclopropylmethyl)-N2-i…

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) 1.19 6.76 -43.73 3 3 1 44 266.434 4 ↓
Hi High (pH 8-9.5) 1.19 6.42 -6.74 2 3 0 42 265.426 4 ↓
Mid Mid (pH 6-8) 1.19 7.73 -91.37 4 3 2 45 267.442 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-(cyclopropylmethyl)-N2-isopropyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-(cyclopropylmethyl)-N2-i…

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) 1.19 6.76 -43.97 3 3 1 44 266.434 4 ↓
Hi High (pH 8-9.5) 1.19 6.43 -5.49 2 3 0 42 265.426 4 ↓
Mid Mid (pH 6-8) 1.19 7.73 -91.09 4 3 2 45 267.442 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-(cyclopropylmethyl)-N2-ethyl-N7-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-(cyclopropylmethyl)-N2-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) 3.14 8.39 -38.43 2 3 1 33 266.434 5 ↓
Hi High (pH 8-9.5) 3.14 6.97 -6.67 1 3 0 28 265.426 5 ↓
Mid Mid (pH 6-8) 3.14 8.8 -86 3 3 2 34 267.442 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-(cyclopropylmethyl)-N2-ethyl-N7-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-(cyclopropylmethyl)-N2-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) 3.14 8.39 -38.41 2 3 1 33 266.434 5 ↓
Hi High (pH 8-9.5) 3.14 6.98 -5.19 1 3 0 28 265.426 5 ↓
Mid Mid (pH 6-8) 3.14 8.8 -85.85 3 3 2 34 267.442 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-(cyclopropylmethyl)-N2-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7R)-N2-(cyclopropylmethyl)-N2-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) 1.78 7.52 -44.52 3 3 1 44 280.461 4 ↓
Hi High (pH 8-9.5) 1.78 7.2 -6.06 2 3 0 42 279.453 4 ↓
Mid Mid (pH 6-8) 1.78 7.93 -93.67 4 3 2 45 281.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-(cyclopropylmethyl)-N2-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7S)-N2-(cyclopropylmethyl)-N2-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) 1.78 7.52 -44.59 3 3 1 44 280.461 4 ↓
Hi High (pH 8-9.5) 1.78 7.2 -4.83 2 3 0 42 279.453 4 ↓
Mid Mid (pH 6-8) 1.78 7.93 -93.55 4 3 2 45 281.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-(cyclopropylmethyl)-N2,N7-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-(cyclopropylmethyl)-N2,N…

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) 3.52 9.25 -36.97 2 3 1 33 280.461 6 ↓
Hi High (pH 8-9.5) 3.52 7.91 -5 1 3 0 28 279.453 6 ↓
Mid Mid (pH 6-8) 3.52 9.65 -85.16 3 3 2 34 281.469 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-(cyclopropylmethyl)-N2,N7-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-(cyclopropylmethyl)-N2,N…

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) 3.52 9.24 -36.6 2 3 1 33 280.461 6 ↓
Hi High (pH 8-9.5) 3.52 7.9 -6.1 1 3 0 28 279.453 6 ↓
Mid Mid (pH 6-8) 3.52 9.65 -85.45 3 3 2 34 281.469 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-(cyclopropylmethyl)-N2-ethyl-N7,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7R)-N2-(cyclopropylmethyl)-N2-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) 4.03 9.28 -38.83 2 3 1 33 294.488 5 ↓
Hi High (pH 8-9.5) 4.03 7.86 -6.23 1 3 0 28 293.48 5 ↓
Mid Mid (pH 6-8) 4.03 9.69 -87.34 3 3 2 34 295.496 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-(cyclopropylmethyl)-N2-ethyl-N7,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7S)-N2-(cyclopropylmethyl)-N2-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) 4.03 9.28 -38.81 2 3 1 33 294.488 5 ↓
Hi High (pH 8-9.5) 4.03 7.86 -4.79 1 3 0 28 293.48 5 ↓
Mid Mid (pH 6-8) 4.03 9.69 -87.16 3 3 2 34 295.496 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-(cyclopropylmethyl)-N2-ethyl-N7-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-(cyclopropylmethyl)-N2-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) 4.02 10 -37.15 2 3 1 33 294.488 7 ↓
Hi High (pH 8-9.5) 4.02 8.68 -4.55 1 3 0 28 293.48 7 ↓
Mid Mid (pH 6-8) 4.02 10.41 -86.88 3 3 2 34 295.496 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-(cyclopropylmethyl)-N2-ethyl-N7-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-(cyclopropylmethyl)-N2-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) 4.02 10 -37.45 2 3 1 33 294.488 7 ↓
Hi High (pH 8-9.5) 4.02 8.66 -6.4 1 3 0 28 293.48 7 ↓
Mid Mid (pH 6-8) 4.02 10.41 -86.91 3 3 2 34 295.496 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-(cyclopropylmethyl)-N2,N7-diethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7R)-N2-(cyclopropylmethyl)-N2,N…

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) 4.41 10.54 -86.39 3 3 2 34 309.523 6 ↓
Hi High (pH 8-9.5) 4.41 8.8 -4.59 1 3 0 28 307.507 6 ↓
Mid Mid (pH 6-8) 4.41 10.14 -37.25 2 3 1 33 308.515 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-(cyclopropylmethyl)-N2,N7-diethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7S)-N2-(cyclopropylmethyl)-N2,N…

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) 4.41 10.54 -86.53 3 3 2 34 309.523 6 ↓
Hi High (pH 8-9.5) 4.41 8.79 -5.66 1 3 0 28 307.507 6 ↓
Mid Mid (pH 6-8) 4.41 10.13 -36.86 2 3 1 33 308.515 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-(cyclopropylmethyl)-N2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-(cyclopropylmethyl)-N2-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) 0.89 6.64 -44.03 3 3 1 44 252.407 4 ↓
Hi High (pH 8-9.5) 0.89 6.32 -6.43 2 3 0 42 251.399 4 ↓
Mid Mid (pH 6-8) 0.89 7.05 -92.01 4 3 2 45 253.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-(cyclopropylmethyl)-N2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-(cyclopropylmethyl)-N2-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) 0.89 6.65 -44.09 3 3 1 44 252.407 4 ↓
Hi High (pH 8-9.5) 0.89 6.32 -5.2 2 3 0 42 251.399 4 ↓
Mid Mid (pH 6-8) 0.89 7.05 -91.86 4 3 2 45 253.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[cyclopropylmethyl(ethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7R)-2-[cyclopropylmethyl(ethyl)…

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 6.97 -6.11 1 3 0 36 280.437 4 ↓
Mid Mid (pH 6-8) 3.48 7.37 -23.81 2 3 1 38 281.445 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-[cyclopropylmethyl(ethyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7S)-2-[cyclopropylmethyl(ethyl)…

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 6.97 -6.12 1 3 0 36 280.437 4 ↓
Mid Mid (pH 6-8) 3.48 7.37 -23.87 2 3 1 38 281.445 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[cyclopropylmethyl(ethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7R)-2-[cyclopropylmethyl(ethyl)…

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 6.06 -6.79 1 3 0 36 252.383 4 ↓
Lo Low (pH 4.5-6) 2.59 6.47 -24.01 2 3 1 38 253.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-[cyclopropylmethyl(ethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7S)-2-[cyclopropylmethyl(ethyl)…

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 6.06 -6.72 1 3 0 36 252.383 4 ↓
Lo Low (pH 4.5-6) 2.59 6.47 -24.02 2 3 1 38 253.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-[(1S)-1-cyclopropylethyl]-N2,N7,5,5-tetramethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7R)-N2-[(1S)-1-cyclopropylethyl…

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) 3.98 8.7 -38.94 2 3 1 33 294.488 4 ↓
Hi High (pH 8-9.5) 3.98 7.28 -6.22 1 3 0 28 293.48 4 ↓
Mid Mid (pH 6-8) 3.98 9.03 -87.03 3 3 2 34 295.496 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-[(1R)-1-cyclopropylethyl]-N2,N7,5,5-tetramethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7R)-N2-[(1R)-1-cyclopropylethyl…

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) 3.98 8.72 -39.16 2 3 1 33 294.488 4 ↓
Hi High (pH 8-9.5) 3.98 7.3 -6.21 1 3 0 28 293.48 4 ↓
Mid Mid (pH 6-8) 3.98 9.04 -86.96 3 3 2 34 295.496 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-[(1S)-1-cyclopropylethyl]-N7-ethyl-N2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-dia (7R)-N2-[(1S)-1-cyclopropylethyl…

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 9.87 -86.31 3 3 2 34 309.523 5 ↓
Hi High (pH 8-9.5) 4.36 8.21 -4.57 1 3 0 28 307.507 5 ↓
Mid Mid (pH 6-8) 4.36 9.54 -37.34 2 3 1 33 308.515 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-[(1S)-1-cyclopropylethyl]-N7-ethyl-N2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-dia (7S)-N2-[(1S)-1-cyclopropylethyl…

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 9.87 -86.14 3 3 2 34 309.523 5 ↓
Hi High (pH 8-9.5) 4.36 8.2 -6.05 1 3 0 28 307.507 5 ↓
Mid Mid (pH 6-8) 4.36 9.54 -37.53 2 3 1 33 308.515 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-[(1S)-1-cyclopropylethyl]-N2,N7-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-[(1S)-1-cyclopropylethyl…

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) 3.10 7.81 -38.54 2 3 1 33 266.434 4 ↓
Hi High (pH 8-9.5) 3.10 6.39 -6.64 1 3 0 28 265.426 4 ↓
Mid Mid (pH 6-8) 3.10 8.14 -85.72 3 3 2 34 267.442 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-[(1R)-1-cyclopropylethyl]-N2,N7-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-[(1R)-1-cyclopropylethyl…

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) 3.10 7.87 -38.7 2 3 1 33 266.434 4 ↓
Hi High (pH 8-9.5) 3.10 6.45 -6.65 1 3 0 28 265.426 4 ↓
Mid Mid (pH 6-8) 3.10 8.2 -85.78 3 3 2 34 267.442 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-[(1S)-1-cyclopropylethyl]-N7-ethyl-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamin (7R)-N2-[(1S)-1-cyclopropylethyl…

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) 3.47 8.66 -37.11 2 3 1 33 280.461 5 ↓
Hi High (pH 8-9.5) 3.47 7.32 -4.99 1 3 0 28 279.453 5 ↓
Mid Mid (pH 6-8) 3.47 8.98 -85.16 3 3 2 34 281.469 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-[(1S)-1-cyclopropylethyl]-N7-ethyl-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamin (7S)-N2-[(1S)-1-cyclopropylethyl…

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) 3.47 8.72 -37.26 2 3 1 33 280.461 5 ↓
Hi High (pH 8-9.5) 3.47 7.38 -6.44 1 3 0 28 279.453 5 ↓
Mid Mid (pH 6-8) 3.47 9.05 -85.18 3 3 2 34 281.469 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-[(1S)-1-cyclopropylethyl]-N2-methyl-N7-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diami (7R)-N2-[(1S)-1-cyclopropylethyl…

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) 3.98 9.42 -37.64 2 3 1 33 294.488 6 ↓
Hi High (pH 8-9.5) 3.98 8.08 -4.85 1 3 0 28 293.48 6 ↓
Mid Mid (pH 6-8) 3.98 9.74 -86.8 3 3 2 34 295.496 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-[(1S)-1-cyclopropylethyl]-N2-methyl-N7-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diami (7S)-N2-[(1S)-1-cyclopropylethyl…

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) 3.98 9.42 -37.77 2 3 1 33 294.488 6 ↓
Hi High (pH 8-9.5) 3.98 8.08 -6.37 1 3 0 28 293.48 6 ↓
Mid Mid (pH 6-8) 3.98 9.74 -86.62 3 3 2 34 295.496 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-(cyclopropylmethyl)-N2,N7,5,5-tetramethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7R)-N2-(cyclopropylmethyl)-N2,N…

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) 3.65 8.34 -39.35 2 3 1 33 280.461 4 ↓
Hi High (pH 8-9.5) 3.65 6.91 -6.45 1 3 0 28 279.453 4 ↓
Mid Mid (pH 6-8) 3.65 8.74 -87.16 3 3 2 34 281.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-(cyclopropylmethyl)-N2,N7,5,5-tetramethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7S)-N2-(cyclopropylmethyl)-N2,N…

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) 3.65 8.34 -38.91 2 3 1 33 280.461 4 ↓
Hi High (pH 8-9.5) 3.65 6.92 -4.65 1 3 0 28 279.453 4 ↓
Mid Mid (pH 6-8) 3.65 8.74 -87.54 3 3 2 34 281.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-(cyclopropylmethyl)-N7-ethyl-N2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7R)-N2-(cyclopropylmethyl)-N7-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) 4.03 9.59 -86.46 3 3 2 34 295.496 5 ↓
Hi High (pH 8-9.5) 4.03 7.86 -4.46 1 3 0 28 293.48 5 ↓
Mid Mid (pH 6-8) 4.03 9.19 -37.34 2 3 1 33 294.488 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-(cyclopropylmethyl)-N7-ethyl-N2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7S)-N2-(cyclopropylmethyl)-N7-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) 4.03 9.59 -86.74 3 3 2 34 295.496 5 ↓
Hi High (pH 8-9.5) 4.03 7.84 -5.89 1 3 0 28 293.48 5 ↓
Mid Mid (pH 6-8) 4.03 9.18 -37.24 2 3 1 33 294.488 5 ↓

Parameters Provided:

ring.id = 158298
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 = 158298 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=158298&filter.purchasability=annotated

Embed Link to Results