| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 16 | Yes |
Popular Name: (3R)-N1-[(1S)-1,3-dimethylbutyl]-N1-methyl-N3-propyl-butane-1,3-diamine (3R)-N1-[(1S)-1,3-dimethylbutyl]…
| 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) | 3.59 | 8.71 | -103.36 | 3 | 2 | 2 | 21 | 230.44 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.59 | 7.51 | -32.97 | 2 | 2 | 1 | 16 | 229.432 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.59 | 6.87 | -34.54 | 2 | 2 | 1 | 20 | 229.432 | 9 | ↓ |
