| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 21 | No |
Popular Name: (2S)-N1,N1-diethyl-N2-[(1S)-1-(3-nitrophenyl)propyl]propane-1,2-diamine (2S)-N1,N1-diethyl-N2-[(1S)-1-(3…
| 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) | 2.70 | 8.97 | -45.31 | 2 | 5 | 1 | 66 | 294.419 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.70 | 8.71 | -5.84 | 1 | 5 | 0 | 61 | 293.411 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.70 | 9.11 | -37.02 | 2 | 5 | 1 | 62 | 294.419 | 9 | ↓ |
