In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2010 | 27 | Yes |
Popular Name: (2S)-2-[4-[2-(diethylamino)-2-oxo-ethyl]piperazin-1-yl]-N-ethyl-N-phenyl-propanamide (2S)-2-[4-[2-(diethylamino)-2-ox…
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) | 2.09 | 6.81 | -12.29 | 0 | 6 | 0 | 47 | 374.529 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.09 | 9 | -40.73 | 1 | 6 | 1 | 48 | 375.537 | 8 | ↓ |