| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 19 | Yes |
Popular Name: (2S)-N2-(1,3-benzodioxol-5-ylmethyl)-N1,N1-diethyl-propane-1,2-diamine (2S)-N2-(1,3-benzodioxol-5-ylmet…
| 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) | 2.50 | 5.34 | -41.44 | 2 | 4 | 1 | 38 | 265.377 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.50 | 6.17 | -39.52 | 2 | 4 | 1 | 35 | 265.377 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.50 | 7.42 | -121.53 | 3 | 4 | 2 | 40 | 266.385 | 7 | ↓ |
