In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 11th, 2010 | 21 | Yes |
Popular Name: (2R)-2-(4-acetylpiperazin-1-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one (2R)-2-(4-acetylpiperazin-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) | -0.46 | 1.96 | -14.5 | 0 | 6 | 0 | 47 | 296.415 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.46 | 4.21 | -51.96 | 1 | 6 | 1 | 48 | 297.423 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.46 | 4.4 | -42.71 | 1 | 6 | 1 | 48 | 297.423 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.46 | 6.61 | -104.21 | 2 | 6 | 2 | 49 | 298.431 | 3 | ↓ |