UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

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

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 -46.82 3 4 1 57 292.428 3 ↓
Hi High (pH 8-9.5) 0.88 5.67 -8.57 2 4 0 55 291.42 3 ↓
Mid Mid (pH 6-8) 0.88 6.4 -96.72 4 4 2 58 293.436 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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 -46.56 3 4 1 57 292.428 3 ↓
Hi High (pH 8-9.5) 0.88 5.68 -7.47 2 4 0 55 291.42 3 ↓
Mid Mid (pH 6-8) 0.88 6.4 -96.96 4 4 2 58 293.436 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) -0.01 5.12 -45.04 3 4 1 57 264.374 3 ↓
Hi High (pH 8-9.5) -0.01 4.79 -7.74 2 4 0 55 263.366 3 ↓
Mid Mid (pH 6-8) -0.01 5.52 -96.11 4 4 2 58 265.382 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) -0.01 5.12 -45.27 3 4 1 57 264.374 3 ↓
Hi High (pH 8-9.5) -0.01 4.8 -6.51 2 4 0 55 263.366 3 ↓
Mid Mid (pH 6-8) -0.01 5.52 -95.79 4 4 2 58 265.382 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.10 7.16 -47.48 3 4 1 57 306.455 3 ↓
Hi High (pH 8-9.5) 1.10 6.83 -8.32 2 4 0 55 305.447 3 ↓
Mid Mid (pH 6-8) 1.10 7.56 -96.82 4 4 2 58 307.463 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.10 7.16 -47.74 3 4 1 57 306.455 3 ↓
Hi High (pH 8-9.5) 1.10 6.84 -7.17 2 4 0 55 305.447 3 ↓
Mid Mid (pH 6-8) 1.10 7.57 -95.91 4 4 2 58 307.463 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.21 6.28 -47.03 3 4 1 57 278.401 3 ↓
Hi High (pH 8-9.5) 0.21 5.96 -8.76 2 4 0 55 277.393 3 ↓
Mid Mid (pH 6-8) 0.21 6.69 -95.12 4 4 2 58 279.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.21 6.28 -47.23 3 4 1 57 278.401 3 ↓
Hi High (pH 8-9.5) 0.21 5.96 -7.54 2 4 0 55 277.393 3 ↓
Mid Mid (pH 6-8) 0.21 6.69 -94.33 4 4 2 58 279.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 3.13 7.75 -41.18 2 4 1 46 306.455 4 ↓
Hi High (pH 8-9.5) 3.13 6.34 -8.79 1 4 0 41 305.447 4 ↓
Mid Mid (pH 6-8) 3.13 8.16 -90.32 3 4 2 47 307.463 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 3.13 7.75 -40.92 2 4 1 46 306.455 4 ↓
Hi High (pH 8-9.5) 3.13 6.34 -7.37 1 4 0 41 305.447 4 ↓
Mid Mid (pH 6-8) 3.13 8.16 -90.59 3 4 2 47 307.463 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 2.24 6.87 -40.82 2 4 1 46 278.401 4 ↓
Hi High (pH 8-9.5) 2.24 5.47 -7.83 1 4 0 41 277.393 4 ↓
Mid Mid (pH 6-8) 2.24 7.27 -89.01 3 4 2 47 279.409 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 2.24 6.86 -40.61 2 4 1 46 278.401 4 ↓
Hi High (pH 8-9.5) 2.24 5.45 -9.29 1 4 0 41 277.393 4 ↓
Mid Mid (pH 6-8) 2.24 7.27 -89.16 3 4 2 47 279.409 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.62 7.73 -39.34 2 4 1 46 292.428 5 ↓
Hi High (pH 8-9.5) 2.62 6.39 -7.61 1 4 0 41 291.42 5 ↓
Mid Mid (pH 6-8) 2.62 8.12 -88.41 3 4 2 47 293.436 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.62 7.72 -39.14 2 4 1 46 292.428 5 ↓
Hi High (pH 8-9.5) 2.62 6.37 -9.06 1 4 0 41 291.42 5 ↓
Mid Mid (pH 6-8) 2.62 8.12 -88.54 3 4 2 47 293.436 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 3.12 8.49 -39.88 2 4 1 46 306.455 6 ↓
Hi High (pH 8-9.5) 3.12 7.15 -7.46 1 4 0 41 305.447 6 ↓
Mid Mid (pH 6-8) 3.12 8.88 -89.98 3 4 2 47 307.463 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 3.12 8.48 -39.64 2 4 1 46 306.455 6 ↓
Hi High (pH 8-9.5) 3.12 7.14 -8.93 1 4 0 41 305.447 6 ↓
Mid Mid (pH 6-8) 3.12 8.88 -90.24 3 4 2 47 307.463 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 2.46 7.97 -41.36 2 4 1 46 292.428 4 ↓
Hi High (pH 8-9.5) 2.46 6.61 -8.96 1 4 0 41 291.42 4 ↓
Mid Mid (pH 6-8) 2.46 8.4 -89.01 3 4 2 47 293.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 2.46 8.03 -41.54 2 4 1 46 292.428 4 ↓
Hi High (pH 8-9.5) 2.46 6.61 -7.46 1 4 0 41 291.42 4 ↓
Mid Mid (pH 6-8) 2.46 8.44 -88.67 3 4 2 47 293.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N7-ethyl-N2-methyl-N2-[(2-methyl-3-furyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diami (7R)-N7-ethyl-N2-methyl-N2-[(2-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) 2.84 8.92 -37.8 2 4 1 46 306.455 5 ↓
Hi High (pH 8-9.5) 2.84 7.69 -5.68 1 4 0 41 305.447 5 ↓
Mid Mid (pH 6-8) 2.84 9.24 -87.32 3 4 2 47 307.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N7-ethyl-N2-methyl-N2-[(2-methyl-3-furyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diami (7S)-N7-ethyl-N2-methyl-N2-[(2-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) 2.84 8.95 -37.75 2 4 1 46 306.455 5 ↓
Hi High (pH 8-9.5) 2.84 7.69 -7 1 4 0 41 305.447 5 ↓
Mid Mid (pH 6-8) 2.84 9.25 -88 3 4 2 47 307.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 2.58 5.46 -8.99 1 4 0 49 292.404 3 ↓
Mid Mid (pH 6-8) 2.58 5.85 -27.32 2 4 1 51 293.412 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 2.58 5.45 -8.9 1 4 0 49 292.404 3 ↓
Mid Mid (pH 6-8) 2.58 5.85 -27.18 2 4 1 51 293.412 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.69 4.54 -8.19 1 4 0 49 264.35 3 ↓
Lo Low (pH 4.5-6) 1.69 4.93 -27.16 2 4 1 51 265.358 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.69 4.54 -8.01 1 4 0 49 264.35 3 ↓
Lo Low (pH 4.5-6) 1.69 4.93 -27.37 2 4 1 51 265.358 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 2.80 6.58 -8.33 1 4 0 49 306.431 3 ↓
Mid Mid (pH 6-8) 2.80 7.02 -27.29 2 4 1 51 307.439 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 2.80 6.58 -8.52 1 4 0 49 306.431 3 ↓
Mid Mid (pH 6-8) 2.80 7.02 -27.51 2 4 1 51 307.439 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.91 5.71 -9.13 1 4 0 49 278.377 3 ↓
Lo Low (pH 4.5-6) 1.91 6.11 -27.51 2 4 1 51 279.385 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.91 5.7 -8.99 1 4 0 49 278.377 3 ↓
Lo Low (pH 4.5-6) 1.91 6.11 -27.65 2 4 1 51 279.385 3 ↓

Parameters Provided:

ring.id = 158392
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 = 158392 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=158392&filter.purchasability=annotated

Embed Link to Results