In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 15 | Yes |
Popular Name: (2S)-N',2-dimethyl-N'-(2-morpholinoethyl)propane-1,3-diamine (2S)-N',2-dimethyl-N'-(2-morphol…
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) | -0.23 | 1.45 | -105.61 | 4 | 4 | 2 | 45 | 217.357 | 6 | ↓ |
Mid Mid (pH 6-8) | -0.23 | -0.62 | -43.39 | 3 | 4 | 1 | 43 | 216.349 | 6 | ↓ |
Mid Mid (pH 6-8) | -0.23 | 1.64 | -88.16 | 4 | 4 | 2 | 45 | 217.357 | 6 | ↓ |
Lo Low (pH 4.5-6) | -0.23 | 3.7 | -192.8 | 5 | 4 | 3 | 46 | 218.365 | 6 | ↓ |