In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 20 | Yes |
Popular Name: 6-[[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]methyl]-1,3-benzodioxol-5-ol 6-[[[(1R,8R)-2,3,5,6,7,8-hexahyd…
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) | 1.84 | 1.62 | -46.67 | 3 | 5 | 1 | 59 | 277.344 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.84 | 2.94 | -37.63 | 3 | 5 | 1 | 55 | 277.344 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.84 | 2.28 | -33.01 | 2 | 5 | 0 | 61 | 276.336 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.84 | 4.11 | -116.51 | 4 | 5 | 2 | 60 | 278.352 | 3 | ↓ |