| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 20 | Yes |
Popular Name: (7S)-2-(4-ethylpiperazin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7S)-2-(4-ethylpiperazin-1-yl)-5…
| 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) | 0.80 | 6.61 | -92.4 | 4 | 4 | 2 | 48 | 296.484 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.80 | 4.07 | -4.47 | 2 | 4 | 0 | 45 | 294.468 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.80 | 4.77 | -95.26 | 4 | 4 | 2 | 48 | 296.484 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.80 | 4.39 | -45.37 | 3 | 4 | 1 | 47 | 295.476 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.80 | 7.01 | -173.77 | 5 | 4 | 3 | 49 | 297.492 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
