In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2008 | 24 | Yes |
Popular Name: 2-[(2S)-1-(1-methyl-4-piperidyl)-4-(p-tolylmethyl)piperazin-2-yl]ethanol 2-[(2S)-1-(1-methyl-4-piperidyl)…
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) | 2.13 | 4.43 | -34.91 | 2 | 4 | 1 | 31 | 332.512 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.13 | 4.66 | -37.98 | 2 | 4 | 1 | 31 | 332.512 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.13 | 6.83 | -101.11 | 3 | 4 | 2 | 32 | 333.52 | 5 | ↓ |