| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2009 | 17 | No |
Popular Name: 2-[4-(aminomethyl)-2-nitro-phenoxy]-N,N-dimethyl-ethanamine 2-[4-(aminomethyl)-2-nitro-pheno…
| 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) | 1.10 | 5.65 | -100.83 | 4 | 6 | 2 | 87 | 241.291 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | 3.2 | -61.15 | 3 | 6 | 1 | 86 | 240.283 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | 2.74 | -10.52 | 2 | 6 | 0 | 84 | 239.275 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | 5.25 | -40.9 | 3 | 6 | 1 | 86 | 240.283 | 6 | ↓ |
