| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 20 | Yes |
Popular Name: (1R,2S)-N1,N2,3-trimethyl-N2-[(1R)-1-methylbutyl]-1-phenyl-butane-1,2-diamine (1R,2S)-N1,N2,3-trimethyl-N2-[(1…
| 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) | 4.59 | 9.9 | -106.48 | 3 | 2 | 2 | 21 | 278.484 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.59 | 9.13 | -37.13 | 2 | 2 | 1 | 20 | 277.476 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.59 | 9.69 | -27.69 | 2 | 2 | 1 | 16 | 277.476 | 8 | ↓ |
