In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 28th, 2010 | 23 | Yes |
Popular Name: 2-[(2R)-4-(1-ethylpropyl)-1-(1-isopropyl-4-piperidyl)piperazin-2-yl]ethanol 2-[(2R)-4-(1-ethylpropyl)-1-(1-i…
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) | 2.70 | 4.02 | -33.88 | 2 | 4 | 1 | 31 | 326.549 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.70 | 4.45 | -32.77 | 2 | 4 | 1 | 31 | 326.549 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.70 | 6.24 | -83.98 | 3 | 4 | 2 | 32 | 327.557 | 7 | ↓ |