| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2009 | 20 | Yes |
Popular Name: (1R)-1-(1,3-benzodioxol-5-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine (1R)-1-(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) | -0.49 | 3.4 | -38.72 | 3 | 5 | 1 | 52 | 278.376 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.49 | 3.7 | -37.01 | 3 | 5 | 1 | 52 | 278.376 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.49 | 2.3 | -49.5 | 3 | 5 | 1 | 53 | 278.376 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.49 | 1.64 | -5.43 | 2 | 5 | 0 | 51 | 277.368 | 3 | ↓ |
