In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 17 | Yes |
Popular Name: (2R,3S)-N-ethyl-3-[(3S)-3-propoxy-1-piperidyl]butan-2-amine (2R,3S)-N-ethyl-3-[(3S)-3-propox…
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) | 2.42 | 5.49 | -35.03 | 2 | 3 | 1 | 29 | 243.415 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.42 | 6.15 | -30.68 | 2 | 3 | 1 | 26 | 243.415 | 7 | ↓ |