In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 18 | Yes |
Popular Name: 6-[[[(2S)-2-(dimethylamino)propyl]amino]methyl]-1,3-benzodioxol-5-ol 6-[[[(2S)-2-(dimethylamino)propy…
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) | 1.66 | 1.22 | -43.75 | 3 | 5 | 1 | 59 | 253.322 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.66 | 1.81 | -39.83 | 3 | 5 | 1 | 55 | 253.322 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.66 | 3.18 | -124.87 | 4 | 5 | 2 | 60 | 254.33 | 5 | ↓ |