| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 25th, 2009 | 28 | Yes |
Popular Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(4-isopropylpiperazin-1-yl)hexan-1-one (2S)-2-[(1,1-dioxo-1,2-benzothia…
| 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) | 1.89 | 4.41 | -17.32 | 1 | 7 | 0 | 82 | 406.552 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.89 | 3.47 | -45.52 | 0 | 7 | -1 | 84 | 405.544 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.89 | 6.63 | -55.88 | 2 | 7 | 1 | 83 | 407.56 | 7 | ↓ |
