| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 17 | Yes |
Popular Name: (2S)-N1,N1-diethyl-N2-[(1S,3R)-1-ethyl-3-methyl-pentyl]propane-1,2-diamine (2S)-N1,N1-diethyl-N2-[(1S,3R)-1…
| 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) | 3.97 | 7.47 | -30.13 | 2 | 2 | 1 | 20 | 243.459 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.97 | 8.52 | -28.11 | 2 | 2 | 1 | 16 | 243.459 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.97 | 9.18 | -106.38 | 3 | 2 | 2 | 21 | 244.467 | 10 | ↓ |
