In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 16 | Yes |
Popular Name: 1-(4-ethylpiperazin-1-yl)-2-[(2S)-pyrrolidin-2-yl]ethanone 1-(4-ethylpiperazin-1-yl)-2-[(2S…
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) | 1.60 | 3.19 | -34 | 2 | 4 | 1 | 40 | 226.344 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.60 | 5.4 | -88.17 | 3 | 4 | 2 | 41 | 227.352 | 3 | ↓ |