In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 18th, 2010 | 21 | Yes |
Popular Name: 2-[(2R)-1-(1-isopropyl-4-piperidyl)-4-propyl-piperazin-2-yl]ethanol 2-[(2R)-1-(1-isopropyl-4-piperid…
None
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) | 1.83 | 3.02 | -31.81 | 2 | 4 | 1 | 31 | 298.495 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.83 | 3.12 | -33.38 | 2 | 4 | 1 | 31 | 298.495 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.83 | 5.39 | -85.03 | 3 | 4 | 2 | 32 | 299.503 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.83 | 5.24 | -98.34 | 3 | 4 | 2 | 32 | 299.503 | 6 | ↓ |