In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 24th, 2008 | 19 | Yes |
Popular Name: (7R,8S)-7-(4-ethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine (7R,8S)-7-(4-ethylpiperazin-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) | 0.01 | 2.78 | -99.65 | 4 | 5 | 2 | 54 | 271.405 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.01 | 0.4 | -43.62 | 3 | 5 | 1 | 53 | 270.397 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.01 | 2.38 | -123.61 | 4 | 5 | 2 | 54 | 271.405 | 2 | ↓ |