| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 21 | Yes |
Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-N-methyl-N-(2-pyridylmethyl)ethane-1,2-diamine (1S)-1-(1,3-benzodioxol-5-yl)-N-…
| 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) | 0.85 | 3.09 | -54.28 | 3 | 5 | 1 | 62 | 286.355 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.85 | 5.18 | -125.4 | 4 | 5 | 2 | 63 | 287.363 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.85 | 3.34 | -113.02 | 4 | 5 | 2 | 63 | 287.363 | 5 | ↓ |
