| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 20 | No |
Popular Name: (2S)-N1,N1-diethyl-N2-[(1R)-1-(3-nitrophenyl)ethyl]propane-1,2-diamine (2S)-N1,N1-diethyl-N2-[(1R)-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) | 3.10 | 9.68 | -45.88 | 2 | 5 | 1 | 66 | 280.392 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.10 | 7.11 | -4.68 | 1 | 5 | 0 | 61 | 279.384 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.10 | 8.86 | -39.15 | 2 | 5 | 1 | 62 | 280.392 | 8 | ↓ |
