In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | Yes |
Popular Name: 4-(aminomethyl)-1-ethyl-N-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]piperidin-4-amine 4-(aminomethyl)-1-ethyl-N-methyl…
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) | 0.39 | 2.99 | -101.39 | 4 | 4 | 2 | 45 | 257.422 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.39 | 2.3 | -35.14 | 3 | 4 | 1 | 43 | 256.414 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.39 | 2.32 | -27.59 | 3 | 4 | 1 | 43 | 256.414 | 5 | ↓ |