| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 20 | Yes |
Popular Name: (7S)-N-ethyl-2-(4-methyl-1,4-diazepan-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-N-ethyl-2-(4-methyl-1,4-dia…
| 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) | 2.43 | 8.8 | -81.97 | 3 | 4 | 2 | 37 | 296.484 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.43 | 5.49 | -6.54 | 1 | 4 | 0 | 31 | 294.468 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.43 | 6.83 | -37.12 | 2 | 4 | 1 | 36 | 295.476 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.43 | 9.21 | -165.79 | 4 | 4 | 3 | 38 | 297.492 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
