In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 30th, 2009 | 22 | No |
Popular Name: (2E)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(2-oxoindolin-3-ylidene)propanenitrile (2E)-3-(4-methylpiperazin-1-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) | 0.64 | 3.52 | -13.29 | 1 | 6 | 0 | 80 | 296.33 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.09 | 1.54 | -47.42 | 0 | 6 | -1 | 83 | 295.322 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.64 | 5.87 | -52.5 | 2 | 6 | 1 | 81 | 297.338 | 1 | ↓ |