| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2009 | 16 | Yes |
Popular Name: (2S)-4-(1,3-benzodioxol-5-yl)-2-methyl-butane-1,2-diamine (2S)-4-(1,3-benzodioxol-5-yl)-2-…
| 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) | 1.17 | 1.58 | -138.54 | 6 | 4 | 2 | 74 | 224.304 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.17 | 1.39 | -47.99 | 5 | 4 | 1 | 72 | 223.296 | 4 | ↓ |
