In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 24th, 2008 | 20 | Yes |
Popular Name: (7R,8S)-7-(4-propylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine (7R,8S)-7-(4-propylpiperazin-1-y…
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) | 0.51 | 3.6 | -101.03 | 4 | 5 | 2 | 54 | 285.432 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.51 | 1.3 | -43.64 | 3 | 5 | 1 | 53 | 284.424 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.51 | 3.26 | -124.2 | 4 | 5 | 2 | 54 | 285.432 | 3 | ↓ |