In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2010 | 16 | Yes |
Popular Name: (2S)-N-methyl-2-[(3R)-3-propoxy-1-piperidyl]butan-1-amine (2S)-N-methyl-2-[(3R)-3-propoxy-…
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) | 2.25 | 4.71 | -37.61 | 2 | 3 | 1 | 29 | 229.388 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.25 | 4.93 | -29.81 | 2 | 3 | 1 | 26 | 229.388 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.25 | 6.38 | -114.32 | 3 | 3 | 2 | 30 | 230.396 | 7 | ↓ |