| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 20 | No |
Popular Name: (2S)-N2-[(2-chloro-5-nitro-phenyl)methyl]-N1,N1-diethyl-propane-1,2-diamine (2S)-N2-[(2-chloro-5-nitro-pheny…
| 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) | 3.17 | 8.64 | -37.49 | 2 | 5 | 1 | 62 | 300.81 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.17 | 8.16 | -40.15 | 2 | 5 | 1 | 66 | 300.81 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.17 | 7 | -3.89 | 1 | 5 | 0 | 61 | 299.802 | 8 | ↓ |
