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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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

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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) 1.10 5.06 -48.66 3 4 1 57 309.484 3 ↓
Hi High (pH 8-9.5) 1.10 4.73 -11 2 4 0 55 308.476 3 ↓
Mid Mid (pH 6-8) 1.10 5.45 -91.78 4 4 2 58 310.492 3 ↓

Analogs

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

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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) 1.10 5.05 -48.13 3 4 1 57 309.484 3 ↓
Hi High (pH 8-9.5) 1.10 4.72 -9.73 2 4 0 55 308.476 3 ↓
Mid Mid (pH 6-8) 1.10 5.45 -92.52 4 4 2 58 310.492 3 ↓

Analogs

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

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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) 0.21 4.17 -44.9 3 4 1 57 281.43 3 ↓
Mid Mid (pH 6-8) 0.21 4.56 -97.8 4 4 2 58 282.438 3 ↓
Mid Mid (pH 6-8) 0.21 3.84 -6.75 2 4 0 55 280.422 3 ↓

Analogs

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

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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) 0.21 4.17 -44.96 3 4 1 57 281.43 3 ↓
Mid Mid (pH 6-8) 0.21 4.56 -97.84 4 4 2 58 282.438 3 ↓
Mid Mid (pH 6-8) 0.21 3.85 -5.67 2 4 0 55 280.422 3 ↓

Analogs

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Popular Name: (7R)-N2,5,5-trimethyl-N2-[(2-methylthiazol-4-yl)methyl]-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7R)-N2,5,5-trimethyl-N2-[(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) 0.81 5.78 -45.37 3 4 1 57 323.511 3 ↓
Hi High (pH 8-9.5) 0.81 5.46 -6.6 2 4 0 55 322.503 3 ↓
Mid Mid (pH 6-8) 0.81 6.18 -99.45 4 4 2 58 324.519 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2,5,5-trimethyl-N2-[(2-methylthiazol-4-yl)methyl]-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7S)-N2,5,5-trimethyl-N2-[(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) 0.81 5.79 -45.48 3 4 1 57 323.511 3 ↓
Hi High (pH 8-9.5) 0.81 5.46 -5.42 2 4 0 55 322.503 3 ↓
Mid Mid (pH 6-8) 0.81 6.18 -99.39 4 4 2 58 324.519 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) -0.07 4.91 -44.89 3 4 1 57 295.457 3 ↓
Mid Mid (pH 6-8) -0.07 4.58 -6.98 2 4 0 55 294.449 3 ↓
Mid Mid (pH 6-8) -0.07 5.3 -97.73 4 4 2 58 296.465 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) -0.07 4.91 -45.15 3 4 1 57 295.457 3 ↓
Mid Mid (pH 6-8) -0.07 4.59 -5.82 2 4 0 55 294.449 3 ↓
Mid Mid (pH 6-8) -0.07 5.3 -97.73 4 4 2 58 296.465 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.35 6.81 -42.94 2 4 1 46 323.511 4 ↓
Hi High (pH 8-9.5) 3.35 5.38 -11.18 1 4 0 41 322.503 4 ↓
Mid Mid (pH 6-8) 3.35 7.21 -85.69 3 4 2 47 324.519 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.35 6.8 -42.51 2 4 1 46 323.511 4 ↓
Hi High (pH 8-9.5) 3.35 5.39 -9.66 1 4 0 41 322.503 4 ↓
Mid Mid (pH 6-8) 3.35 7.21 -86.37 3 4 2 47 324.519 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.46 5.92 -42.55 2 4 1 46 295.457 4 ↓
Hi High (pH 8-9.5) 2.46 4.52 -10.13 1 4 0 41 294.449 4 ↓
Mid Mid (pH 6-8) 2.46 6.32 -84.62 3 4 2 47 296.465 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.46 5.91 -42.13 2 4 1 46 295.457 4 ↓
Hi High (pH 8-9.5) 2.46 4.5 -11.69 1 4 0 41 294.449 4 ↓
Mid Mid (pH 6-8) 2.46 6.32 -85.17 3 4 2 47 296.465 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.84 6.77 -41.04 2 4 1 46 309.484 5 ↓
Hi High (pH 8-9.5) 2.84 5.44 -9.95 1 4 0 41 308.476 5 ↓
Mid Mid (pH 6-8) 2.84 7.17 -83.97 3 4 2 47 310.492 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.84 6.76 -40.62 2 4 1 46 309.484 5 ↓
Hi High (pH 8-9.5) 2.84 5.42 -11.52 1 4 0 41 308.476 5 ↓
Mid Mid (pH 6-8) 2.84 7.17 -84.55 3 4 2 47 310.492 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.34 7.54 -41.51 2 4 1 46 323.511 6 ↓
Hi High (pH 8-9.5) 3.34 6.2 -9.82 1 4 0 41 322.503 6 ↓
Mid Mid (pH 6-8) 3.34 7.93 -85.5 3 4 2 47 324.519 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.34 7.53 -41.17 2 4 1 46 323.511 6 ↓
Hi High (pH 8-9.5) 3.34 6.19 -11.38 1 4 0 41 322.503 6 ↓
Mid Mid (pH 6-8) 3.34 7.93 -86.08 3 4 2 47 324.519 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2,N7-dimethyl-N2-[(2-methylthiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diami (7R)-N2,N7-dimethyl-N2-[(2-methy…

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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) 2.18 6.65 -39.4 2 4 1 46 309.484 4 ↓
Hi High (pH 8-9.5) 2.18 5.23 -7.31 1 4 0 41 308.476 4 ↓
Mid Mid (pH 6-8) 2.18 7.04 -91.42 3 4 2 47 310.492 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.18 6.65 -39.65 2 4 1 46 309.484 4 ↓
Hi High (pH 8-9.5) 2.18 5.24 -5.82 1 4 0 41 308.476 4 ↓
Mid Mid (pH 6-8) 2.18 7.05 -91.4 3 4 2 47 310.492 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N7-ethyl-N2-methyl-N2-[(2-methylthiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-d (7R)-N7-ethyl-N2-methyl-N2-[(2-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) 2.56 7.51 -41.1 2 4 1 46 323.511 5 ↓
Hi High (pH 8-9.5) 2.56 6.18 -10.14 1 4 0 41 322.503 5 ↓
Mid Mid (pH 6-8) 2.56 7.91 -84.33 3 4 2 47 324.519 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N7-ethyl-N2-methyl-N2-[(2-methylthiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-d (7S)-N7-ethyl-N2-methyl-N2-[(2-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) 2.56 7.5 -40.78 2 4 1 46 323.511 5 ↓
Hi High (pH 8-9.5) 2.56 6.16 -11.71 1 4 0 41 322.503 5 ↓
Mid Mid (pH 6-8) 2.56 7.91 -84.73 3 4 2 47 324.519 5 ↓

Analogs

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

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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) 2.80 4.5 -10.21 1 4 0 49 309.46 3 ↓
Mid Mid (pH 6-8) 2.80 4.9 -26.08 2 4 1 50 310.468 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.80 4.5 -10.15 1 4 0 49 309.46 3 ↓
Mid Mid (pH 6-8) 2.80 4.9 -25.9 2 4 1 50 310.468 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[methyl(thiazol-4-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7R)-2-[methyl(thiazol-4-ylmethy…

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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) 1.91 3.58 -7.2 1 4 0 49 281.406 3 ↓
Lo Low (pH 4.5-6) 1.91 3.98 -26.92 2 4 1 50 282.414 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-[methyl(thiazol-4-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7S)-2-[methyl(thiazol-4-ylmethy…

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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) 1.91 3.58 -7.15 1 4 0 49 281.406 3 ↓
Lo Low (pH 4.5-6) 1.91 3.98 -27.05 2 4 1 50 282.414 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-5,5-dimethyl-2-[methyl-[(2-methylthiazol-4-yl)methyl]amino]-6,7-dihydro-4H-1,3-benzothiazol-7-o (7R)-5,5-dimethyl-2-[methyl-[(2-…

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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) 2.51 5.22 -8.32 1 4 0 49 323.487 3 ↓
Mid Mid (pH 6-8) 2.51 5.63 -26.53 2 4 1 50 324.495 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-5,5-dimethyl-2-[methyl-[(2-methylthiazol-4-yl)methyl]amino]-6,7-dihydro-4H-1,3-benzothiazol-7-o (7S)-5,5-dimethyl-2-[methyl-[(2-…

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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) 2.51 5.21 -8.36 1 4 0 49 323.487 3 ↓
Mid Mid (pH 6-8) 2.51 5.62 -26.68 2 4 1 50 324.495 3 ↓

Analogs

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

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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) 1.62 4.32 -7.42 1 4 0 49 295.433 3 ↓
Lo Low (pH 4.5-6) 1.62 4.72 -26.71 2 4 1 50 296.441 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.62 4.32 -7.34 1 4 0 49 295.433 3 ↓
Lo Low (pH 4.5-6) 1.62 4.71 -26.83 2 4 1 50 296.441 3 ↓

Parameters Provided:

ring.id = 158357
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 = 158357 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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