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Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 7.45 -44.7 3 3 1 44 294.488 2 ↓
Hi High (pH 8-9.5) 2.44 7.12 -6.03 2 3 0 42 293.48 2 ↓
Mid Mid (pH 6-8) 2.44 7.77 -93.93 4 3 2 45 295.496 2 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 7.44 -44.79 3 3 1 44 294.488 2 ↓
Hi High (pH 8-9.5) 2.44 7.12 -4.8 2 3 0 42 293.48 2 ↓
Mid Mid (pH 6-8) 2.44 7.77 -93.85 4 3 2 45 295.496 2 ↓

Analogs

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

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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) 1.55 6.57 -44.23 3 3 1 44 266.434 2 ↓
Hi High (pH 8-9.5) 1.55 6.24 -6.35 2 3 0 42 265.426 2 ↓
Mid Mid (pH 6-8) 1.55 6.89 -92.32 4 3 2 45 267.442 2 ↓

Analogs

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

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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) 1.55 6.57 -44.33 3 3 1 44 266.434 2 ↓
Hi High (pH 8-9.5) 1.55 6.25 -5.19 2 3 0 42 265.426 2 ↓
Mid Mid (pH 6-8) 1.55 6.89 -92.28 4 3 2 45 267.442 2 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.81 8.72 -42.98 3 3 1 44 308.515 3 ↓
Hi High (pH 8-9.5) 2.81 8.39 -5.13 2 3 0 42 307.507 3 ↓
Mid Mid (pH 6-8) 2.81 8.51 -93.95 4 3 2 45 309.523 3 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.81 8.72 -43.19 3 3 1 44 308.515 3 ↓
Hi High (pH 8-9.5) 2.81 8.4 -4 2 3 0 42 307.507 3 ↓
Mid Mid (pH 6-8) 2.81 8.51 -93.85 4 3 2 45 309.523 3 ↓

Analogs

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

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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) 1.92 7.84 -42.49 3 3 1 44 280.461 3 ↓
Hi High (pH 8-9.5) 1.92 7.51 -5.49 2 3 0 42 279.453 3 ↓
Mid Mid (pH 6-8) 1.92 7.63 -92.39 4 3 2 45 281.469 3 ↓

Analogs

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

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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) 1.92 7.84 -42.63 3 3 1 44 280.461 3 ↓
Hi High (pH 8-9.5) 1.92 7.52 -4.41 2 3 0 42 279.453 3 ↓
Mid Mid (pH 6-8) 1.92 7.63 -92.23 4 3 2 45 281.469 3 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 8.05 -44.7 3 3 1 44 308.515 2 ↓
Hi High (pH 8-9.5) 2.44 7.73 -5.9 2 3 0 42 307.507 2 ↓
Mid Mid (pH 6-8) 2.44 8.38 -94.53 4 3 2 45 309.523 2 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 8.02 -43.24 3 3 1 44 308.515 2 ↓
Hi High (pH 8-9.5) 2.44 7.68 -4.7 2 3 0 42 307.507 2 ↓
Mid Mid (pH 6-8) 2.44 8.11 -94.63 4 3 2 45 309.523 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 8.02 -43.03 3 3 1 44 308.515 2 ↓
Hi High (pH 8-9.5) 2.44 7.68 -4.73 2 3 0 42 307.507 2 ↓
Mid Mid (pH 6-8) 2.44 8.11 -94.59 4 3 2 45 309.523 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 8.05 -44.73 3 3 1 44 308.515 2 ↓
Hi High (pH 8-9.5) 2.44 7.73 -5.93 2 3 0 42 307.507 2 ↓
Mid Mid (pH 6-8) 2.44 8.38 -94.51 4 3 2 45 309.523 2 ↓

Analogs

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

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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) 1.55 7.18 -44.18 3 3 1 44 280.461 2 ↓
Hi High (pH 8-9.5) 1.55 6.85 -6.18 2 3 0 42 279.453 2 ↓
Mid Mid (pH 6-8) 1.55 7.5 -92.8 4 3 2 45 281.469 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.55 7.14 -42.7 3 3 1 44 280.461 2 ↓
Hi High (pH 8-9.5) 1.55 6.8 -5.13 2 3 0 42 279.453 2 ↓
Mid Mid (pH 6-8) 1.55 7.23 -92.9 4 3 2 45 281.469 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.55 7.14 -42.5 3 3 1 44 280.461 2 ↓
Hi High (pH 8-9.5) 1.55 6.81 -5.04 2 3 0 42 279.453 2 ↓
Mid Mid (pH 6-8) 1.55 7.23 -92.96 4 3 2 45 281.469 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.55 7.18 -44.22 3 3 1 44 280.461 2 ↓
Hi High (pH 8-9.5) 1.55 6.85 -6.23 2 3 0 42 279.453 2 ↓
Mid Mid (pH 6-8) 1.55 7.5 -92.77 4 3 2 45 281.469 2 ↓

Analogs

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

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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) 2.68 7.93 -44.31 3 3 1 44 308.515 2 ↓
Hi High (pH 8-9.5) 2.68 7.6 -5.65 2 3 0 42 307.507 2 ↓
Mid Mid (pH 6-8) 2.68 8.14 -94.44 4 3 2 45 309.523 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.68 8.41 -44.3 3 3 1 44 308.515 2 ↓
Hi High (pH 8-9.5) 2.68 8.08 -5.78 2 3 0 42 307.507 2 ↓
Mid Mid (pH 6-8) 2.68 8.74 -94.04 4 3 2 45 309.523 2 ↓

Analogs

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

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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) 2.68 8.41 -44.25 3 3 1 44 308.515 2 ↓
Hi High (pH 8-9.5) 2.68 8.08 -5.7 2 3 0 42 307.507 2 ↓
Mid Mid (pH 6-8) 2.68 8.74 -94.07 4 3 2 45 309.523 2 ↓

Analogs

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

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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) 2.68 8.19 -43.49 3 3 1 44 308.515 2 ↓
Hi High (pH 8-9.5) 2.68 7.86 -4.84 2 3 0 42 307.507 2 ↓
Mid Mid (pH 6-8) 2.68 7.09 -95.04 4 3 2 45 309.523 2 ↓

Analogs

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

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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) 1.79 7.05 -43.82 3 3 1 44 280.461 2 ↓
Hi High (pH 8-9.5) 1.79 6.72 -6.09 2 3 0 42 279.453 2 ↓
Mid Mid (pH 6-8) 1.79 7.26 -92.76 4 3 2 45 281.469 2 ↓

Analogs

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

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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) 1.79 7.53 -43.8 3 3 1 44 280.461 2 ↓
Hi High (pH 8-9.5) 1.79 7.21 -6.14 2 3 0 42 279.453 2 ↓
Mid Mid (pH 6-8) 1.79 7.86 -92.44 4 3 2 45 281.469 2 ↓

Analogs

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

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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) 1.79 7.53 -43.81 3 3 1 44 280.461 2 ↓
Hi High (pH 8-9.5) 1.79 7.21 -6.07 2 3 0 42 279.453 2 ↓
Mid Mid (pH 6-8) 1.79 7.86 -92.5 4 3 2 45 281.469 2 ↓

Analogs

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

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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) 1.79 7.31 -42.93 3 3 1 44 280.461 2 ↓
Hi High (pH 8-9.5) 1.79 6.99 -5.23 2 3 0 42 279.453 2 ↓
Mid Mid (pH 6-8) 1.79 6.21 -93.27 4 3 2 45 281.469 2 ↓

Analogs

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

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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) 2.21 8.03 -43.24 3 3 1 44 308.515 2 ↓
Hi High (pH 8-9.5) 2.21 7.69 -4.84 2 3 0 42 307.507 2 ↓
Mid Mid (pH 6-8) 2.21 8.11 -94.43 4 3 2 45 309.523 2 ↓

Analogs

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

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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) 2.21 8.06 -44.68 3 3 1 44 308.515 2 ↓
Hi High (pH 8-9.5) 2.21 7.74 -4.61 2 3 0 42 307.507 2 ↓
Mid Mid (pH 6-8) 2.21 8.38 -94.44 4 3 2 45 309.523 2 ↓

Analogs

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

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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) 1.32 7.18 -44.25 3 3 1 44 280.461 2 ↓
Hi High (pH 8-9.5) 1.32 6.85 -6.23 2 3 0 42 279.453 2 ↓
Mid Mid (pH 6-8) 1.32 7.5 -92.74 4 3 2 45 281.469 2 ↓

Analogs

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

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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) 1.32 7.15 -42.63 3 3 1 44 280.461 2 ↓
Hi High (pH 8-9.5) 1.32 6.82 -4.16 2 3 0 42 279.453 2 ↓
Mid Mid (pH 6-8) 1.32 7.23 -92.79 4 3 2 45 281.469 2 ↓

Analogs

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

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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 -44.22 3 3 1 44 294.488 3 ↓
Hi High (pH 8-9.5) 2.01 7.5 -6.14 2 3 0 42 293.48 3 ↓
Mid Mid (pH 6-8) 2.01 8.15 -92.94 4 3 2 45 295.496 3 ↓

Analogs

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

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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 -44.12 3 3 1 44 294.488 3 ↓
Hi High (pH 8-9.5) 2.01 7.51 -5.05 2 3 0 42 293.48 3 ↓
Mid Mid (pH 6-8) 2.01 8.16 -92.99 4 3 2 45 295.496 3 ↓

Analogs

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

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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) 4.69 9.2 -38.95 2 3 1 33 308.515 3 ↓
Hi High (pH 8-9.5) 4.69 7.78 -6.24 1 3 0 28 307.507 3 ↓
Mid Mid (pH 6-8) 4.69 9.53 -87.61 3 3 2 34 309.523 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.69 9.2 -39.07 2 3 1 33 308.515 3 ↓
Hi High (pH 8-9.5) 4.69 7.79 -4.8 1 3 0 28 307.507 3 ↓
Mid Mid (pH 6-8) 4.69 9.53 -87.57 3 3 2 34 309.523 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.80 8.31 -38.6 2 3 1 33 280.461 3 ↓
Hi High (pH 8-9.5) 3.80 6.9 -5.14 1 3 0 28 279.453 3 ↓
Mid Mid (pH 6-8) 3.80 8.64 -86.21 3 3 2 34 281.469 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-cyclohexyl-N2,N7-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-cyclohexyl-N2,N7-dimethy…

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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) 3.80 8.31 -38.71 2 3 1 33 280.461 3 ↓
Hi High (pH 8-9.5) 3.80 6.9 -6.62 1 3 0 28 279.453 3 ↓
Mid Mid (pH 6-8) 3.80 8.64 -86.14 3 3 2 34 281.469 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-cyclohexyl-N7-ethyl-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-cyclohexyl-N7-ethyl-N2-m…

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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) 4.18 9.16 -37.1 2 3 1 33 294.488 4 ↓
Hi High (pH 8-9.5) 4.18 7.83 -4.96 1 3 0 28 293.48 4 ↓
Mid Mid (pH 6-8) 4.18 9.49 -85.66 3 3 2 34 295.496 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-cyclohexyl-N7-ethyl-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-cyclohexyl-N7-ethyl-N2-m…

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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) 4.18 9.16 -37.16 2 3 1 33 294.488 4 ↓
Hi High (pH 8-9.5) 4.18 7.82 -6.44 1 3 0 28 293.48 4 ↓
Mid Mid (pH 6-8) 4.18 9.49 -85.64 3 3 2 34 295.496 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-cyclohexyl-N2-methyl-N7-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-cyclohexyl-N2-methyl-N7-…

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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) 4.68 9.92 -37.66 2 3 1 33 308.515 5 ↓
Hi High (pH 8-9.5) 4.68 8.59 -4.88 1 3 0 28 307.507 5 ↓
Mid Mid (pH 6-8) 4.68 10.25 -87.3 3 3 2 34 309.523 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-cyclohexyl-N2-methyl-N7-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-cyclohexyl-N2-methyl-N7-…

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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) 4.68 9.92 -37.72 2 3 1 33 308.515 5 ↓
Hi High (pH 8-9.5) 4.68 8.58 -6.34 1 3 0 28 307.507 5 ↓
Mid Mid (pH 6-8) 4.68 10.25 -87.32 3 3 2 34 309.523 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-cyclohexyl-N2-ethyl-N7-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-cyclohexyl-N2-ethyl-N7-m…

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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) 4.18 9.59 -37 2 3 1 33 294.488 4 ↓
Hi High (pH 8-9.5) 4.18 8.17 -5.8 1 3 0 28 293.48 4 ↓
Mid Mid (pH 6-8) 4.18 9.38 -86.28 3 3 2 34 295.496 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-cyclohexyl-N2-ethyl-N7-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-cyclohexyl-N2-ethyl-N7-m…

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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) 4.18 9.59 -37.13 2 3 1 33 294.488 4 ↓
Hi High (pH 8-9.5) 4.18 8.17 -4.29 1 3 0 28 293.48 4 ↓
Mid Mid (pH 6-8) 4.18 9.38 -86.15 3 3 2 34 295.496 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.55 10.44 -35.56 2 3 1 33 308.515 5 ↓
Hi High (pH 8-9.5) 4.55 9.1 -4.14 1 3 0 28 307.507 5 ↓
Mid Mid (pH 6-8) 4.55 10.23 -85.66 3 3 2 34 309.523 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.55 10.44 -35.66 2 3 1 33 308.515 5 ↓
Hi High (pH 8-9.5) 4.55 9.09 -5.54 1 3 0 28 307.507 5 ↓
Mid Mid (pH 6-8) 4.55 10.23 -85.56 3 3 2 34 309.523 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.81 8.92 -38.63 2 3 1 33 294.488 3 ↓
Hi High (pH 8-9.5) 3.81 7.5 -6.54 1 3 0 28 293.48 3 ↓
Mid Mid (pH 6-8) 3.81 9.25 -86.73 3 3 2 34 295.496 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.81 8.91 -37.36 2 3 1 33 294.488 3 ↓
Hi High (pH 8-9.5) 3.81 7.46 -5.32 1 3 0 28 293.48 3 ↓
Mid Mid (pH 6-8) 3.81 8.94 -86.79 3 3 2 34 295.496 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.81 8.92 -37.17 2 3 1 33 294.488 3 ↓
Hi High (pH 8-9.5) 3.81 7.47 -5.32 1 3 0 28 293.48 3 ↓
Mid Mid (pH 6-8) 3.81 8.95 -86.83 3 3 2 34 295.496 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.81 8.92 -38.65 2 3 1 33 294.488 3 ↓
Hi High (pH 8-9.5) 3.81 7.5 -6.57 1 3 0 28 293.48 3 ↓
Mid Mid (pH 6-8) 3.81 9.25 -86.72 3 3 2 34 295.496 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.18 9.77 -37.11 2 3 1 33 308.515 4 ↓
Hi High (pH 8-9.5) 4.18 8.44 -4.9 1 3 0 28 307.507 4 ↓
Mid Mid (pH 6-8) 4.18 10.1 -86.23 3 3 2 34 309.523 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.18 9.77 -37.06 2 3 1 33 308.515 4 ↓
Hi High (pH 8-9.5) 4.18 8.43 -6.34 1 3 0 28 307.507 4 ↓
Mid Mid (pH 6-8) 4.18 10.1 -86.14 3 3 2 34 309.523 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.04 8.81 -38.25 2 3 1 33 294.488 3 ↓
Hi High (pH 8-9.5) 4.04 7.38 -6.27 1 3 0 28 293.48 3 ↓
Mid Mid (pH 6-8) 4.04 9.01 -86.85 3 3 2 34 295.496 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.04 9.28 -38.18 2 3 1 33 294.488 3 ↓
Hi High (pH 8-9.5) 4.04 7.86 -6.38 1 3 0 28 293.48 3 ↓
Mid Mid (pH 6-8) 4.04 9.6 -86.35 3 3 2 34 295.496 3 ↓

Parameters Provided:

ring.id = 157631
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 = 157631 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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