In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 28 | Yes |
Popular Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1-propyl-4-piperidyl)piperazin-2-yl]ethanol 2-[(2S)-1-[(2-ethoxyphenyl)methy…
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) | 2.94 | 6.06 | -39.19 | 2 | 5 | 1 | 40 | 390.592 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.94 | 6.11 | -40.92 | 2 | 5 | 1 | 40 | 390.592 | 9 | ↓ |
Lo Low (pH 4.5-6) | 2.94 | 8.34 | -110.73 | 3 | 5 | 2 | 42 | 391.6 | 9 | ↓ |