In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 20 | Yes |
Popular Name: (1R)-1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(1S)-1,2,2-trimethylpropyl]ethane-1,2-diamine (1R)-1-(1,3-benzodioxol-5-yl)-N-…
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) | 2.65 | 5.71 | -130.37 | 4 | 4 | 2 | 51 | 280.412 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.65 | 4.52 | -51.25 | 3 | 4 | 1 | 49 | 279.404 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.65 | 5.51 | -33.93 | 3 | 4 | 1 | 49 | 279.404 | 5 | ↓ |