In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 9th, 2009 | 33 | Yes |
Popular Name: N-[2-[4-[[(1R)-1-methylpropyl]BLAHyl]piperazin-1-yl]ethyl]-N-propyl-propan-1-amine N-[2-[4-[[(1R)-1-methylpropyl]BL…
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) | 6.37 | 14.87 | -40.58 | 1 | 5 | 1 | 37 | 472.767 | 10 | ↓ |
Hi High (pH 8-9.5) | 6.37 | 12.74 | -5.39 | 0 | 5 | 0 | 35 | 471.759 | 10 | ↓ |
Lo Low (pH 4.5-6) | 6.37 | 17.1 | -128.86 | 2 | 5 | 2 | 38 | 473.775 | 10 | ↓ |