| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 21 | Yes |
Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-N'-(2-dimethylaminoethyl)-N'-propyl-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) | 0.26 | 4.76 | -108.7 | 4 | 5 | 2 | 54 | 295.427 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.26 | 4.04 | -42.31 | 3 | 5 | 1 | 52 | 294.419 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.26 | 4 | -38.59 | 3 | 5 | 1 | 52 | 294.419 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.26 | 2.29 | -49.51 | 3 | 5 | 1 | 53 | 294.419 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.26 | 6.85 | -241.58 | 5 | 5 | 3 | 55 | 296.435 | 8 | ↓ |
