| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 21 | No |
Popular Name: N,N-diisopropyl-N'-[(1R)-1-(3-nitrophenyl)ethyl]ethane-1,2-diamine N,N-diisopropyl-N'-[(1R)-1-(3-ni…
| 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) | 3.37 | 7.94 | -52.74 | 2 | 5 | 1 | 66 | 294.419 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.37 | 6.7 | -6.03 | 1 | 5 | 0 | 61 | 293.411 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.37 | 9.85 | -131.99 | 3 | 5 | 2 | 67 | 295.427 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.37 | 8.77 | -39.43 | 2 | 5 | 1 | 62 | 294.419 | 8 | ↓ |
