In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2010 | 20 | Yes |
Popular Name: N-[[2-[(3S)-3-ethoxy-1-piperidyl]-3-pyridyl]methyl]propan-1-amine N-[[2-[(3S)-3-ethoxy-1-piperidyl…
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) | 2.28 | 7.86 | -40.84 | 2 | 4 | 1 | 42 | 278.42 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.28 | 6.61 | -4.53 | 1 | 4 | 0 | 37 | 277.412 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.28 | 8.34 | -97.62 | 3 | 4 | 2 | 43 | 279.428 | 7 | ↓ |