In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2008 | 19 | Yes |
Popular Name: (2R)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-piperazin-1-yl-propanamide (2R)-N-[[(2S)-1-ethylpyrrolidin-…
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) | -0.13 | 2.33 | -81.98 | 4 | 5 | 2 | 53 | 270.421 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.13 | 0.83 | -36.87 | 3 | 5 | 1 | 49 | 269.413 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.13 | 0.97 | -38.06 | 3 | 5 | 1 | 49 | 269.413 | 5 | ↓ |
Lo Low (pH 4.5-6) | -0.13 | 4.62 | -177.77 | 5 | 5 | 3 | 55 | 271.429 | 5 | ↓ |