| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 12 | Yes |
Popular Name: (2S)-N'-ethyl-2-methyl-N'-[(1S)-1-methylpropyl]propane-1,3-diamine (2S)-N'-ethyl-2-methyl-N'-[(1S)-…
| 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) | 1.48 | 4.72 | -97.5 | 4 | 2 | 2 | 32 | 174.332 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.48 | 4.36 | -28.34 | 3 | 2 | 1 | 30 | 173.324 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.48 | 3.28 | -41.22 | 3 | 2 | 1 | 31 | 173.324 | 6 | ↓ |
