In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 19 | Yes |
Popular Name: 6-[[[(1S)-3-(dimethylamino)-1-methyl-propyl]amino]methyl]-1,3-benzodioxol-5-ol 6-[[[(1S)-3-(dimethylamino)-1-me…
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) | 1.93 | 3.92 | -114.29 | 4 | 5 | 2 | 60 | 268.357 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.93 | 2.11 | -32.95 | 2 | 5 | 0 | 61 | 266.341 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.93 | 1.45 | -44.93 | 3 | 5 | 1 | 59 | 267.349 | 6 | ↓ |