| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 16 | Yes |
Popular Name: 3-[(6-hydroxy-1,3-benzodioxol-5-yl)methylamino]propanenitrile 3-[(6-hydroxy-1,3-benzodioxol-5-…
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| 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) | 0.76 | 1.79 | -62.42 | 3 | 5 | 1 | 79 | 221.236 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.76 | 0.21 | -10.96 | 2 | 5 | 0 | 75 | 220.228 | 4 | ↓ |
