In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 16 | Yes |
Popular Name: (2S)-1-(ethylamino)-3-[ethyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]propan-2-ol (2S)-1-(ethylamino)-3-[ethyl-[[(…
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) | 0.26 | 0.72 | -38.03 | 3 | 4 | 1 | 49 | 231.36 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.26 | -0.65 | -4.25 | 2 | 4 | 0 | 45 | 230.352 | 8 | ↓ |
Mid Mid (pH 6-8) | 0.26 | 3.5 | -42.29 | 3 | 4 | 1 | 53 | 231.36 | 8 | ↓ |