In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | Yes |
Popular Name: 1-(aminomethyl)-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]cycloheptanamine 1-(aminomethyl)-N-ethyl-N-[[(2S)…
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) | 2.38 | 3.45 | -42.32 | 3 | 3 | 1 | 40 | 255.426 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.38 | 5.1 | -25.61 | 3 | 3 | 1 | 40 | 255.426 | 5 | ↓ |