In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 14th, 2010 | 16 | Yes |
Popular Name: (2S)-N1-[(1S)-1-cyclopropylethyl]-N2-ethyl-N1-(2-methoxyethyl)propane-1,2-diamine (2S)-N1-[(1S)-1-cyclopropylethyl…
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) | 2.02 | 4.77 | -29.29 | 2 | 3 | 1 | 29 | 229.388 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.02 | 3.14 | -1.97 | 1 | 3 | 0 | 24 | 228.38 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.02 | 5.49 | -26.79 | 2 | 3 | 1 | 26 | 229.388 | 9 | ↓ |