| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 17 | Yes |
Popular Name: (2S)-N2-methyl-N2-[(1S)-1-methylbutyl]-3-phenyl-propane-1,2-diamine (2S)-N2-methyl-N2-[(1S)-1-methyl…
| 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) | 2.71 | 5.29 | -45.38 | 3 | 2 | 1 | 31 | 235.395 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.71 | 5 | -1.4 | 2 | 2 | 0 | 29 | 234.387 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | 6.76 | -30.4 | 3 | 2 | 1 | 30 | 235.395 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | 7.02 | -119.75 | 4 | 2 | 2 | 32 | 236.403 | 7 | ↓ |
