In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 16 | Yes |
Popular Name: (4-allylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone (4-allylpiperazin-1-yl)-[(2S)-py…
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) | 0.38 | 2.79 | -37.67 | 2 | 4 | 1 | 40 | 224.328 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.38 | 1.5 | -8.53 | 1 | 4 | 0 | 36 | 223.32 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.38 | 5.06 | -92.44 | 3 | 4 | 2 | 41 | 225.336 | 3 | ↓ |