In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 5th, 2010 | 20 | Yes |
Popular Name: 2-[(2R)-4-(2-ethylbutyl)-1-isopentyl-piperazin-2-yl]ethanol 2-[(2R)-4-(2-ethylbutyl)-1-isope…
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) | 3.64 | 6.03 | -36.04 | 2 | 3 | 1 | 28 | 285.496 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.64 | 4.3 | -2.42 | 1 | 3 | 0 | 27 | 284.488 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.64 | 6.26 | -33.16 | 2 | 3 | 1 | 28 | 285.496 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.64 | 8.23 | -116.31 | 3 | 3 | 2 | 29 | 286.504 | 9 | ↓ |