| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 20 | Yes |
Popular Name: (NE)-N-(3H-1,3-benzothiazol-2-ylidene)-2-(4-methylpiperazin-1-yl)acetamide (NE)-N-(3H-1,3-benzothiazol-2-yl…
| 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) | 1.96 | 5.54 | -44.67 | 2 | 5 | 1 | 50 | 291.4 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 3.16 | -15.19 | 1 | 5 | 0 | 48 | 290.392 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.52 | 2.17 | -9.15 | 1 | 5 | 0 | 52 | 290.392 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.52 | 4.36 | -30.64 | 2 | 5 | 1 | 53 | 291.4 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.78 | 4.53 | -38.22 | 1 | 5 | 0 | 56 | 290.392 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.78 | 4.61 | -58.68 | 1 | 5 | 0 | 56 | 290.392 | 3 | ↓ |
