In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | Yes |
Popular Name: (1R)-N-ethyl-1-(3-pyridyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine (1R)-N-ethyl-1-(3-pyridyl)-N-[[(…
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) | 0.24 | 1.52 | -43.88 | 3 | 4 | 1 | 53 | 250.366 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.24 | 3.4 | -29.11 | 3 | 4 | 1 | 53 | 250.366 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.24 | 3.78 | -119.28 | 4 | 4 | 2 | 54 | 251.374 | 6 | ↓ |