| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 18 | Yes |
Popular Name: (3R,4S)-N4-methyl-N3-propyl-N3-(2,2,2-trifluoroethyl)heptane-3,4-diamine (3R,4S)-N4-methyl-N3-propyl-N3-(…
| 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) | 4.22 | 6.37 | -43.78 | 2 | 2 | 1 | 20 | 269.375 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.22 | 5.37 | -1.71 | 1 | 2 | 0 | 15 | 268.367 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 4.22 | 7.75 | -110.53 | 3 | 2 | 2 | 21 | 270.383 | 10 | ↓ |
