In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 19 | Yes |
Popular Name: (3S,4S)-N-ethyl-3-[(3R)-3-propoxy-1-piperidyl]tetrahydropyran-4-amine (3S,4S)-N-ethyl-3-[(3R)-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) | 1.85 | 4.47 | -36.87 | 2 | 4 | 1 | 38 | 271.425 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.85 | 3.69 | -1.85 | 1 | 4 | 0 | 34 | 270.417 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.85 | 5.45 | -33.22 | 2 | 4 | 1 | 35 | 271.425 | 6 | ↓ |