In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 20 | Yes |
Popular Name: 6-[[[(3S)-1-ethylpyrrolidin-3-yl]methylamino]methyl]-1,3-benzodioxol-5-ol 6-[[[(3S)-1-ethylpyrrolidin-3-yl…
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) | 2.21 | 3.05 | -38.48 | 3 | 5 | 1 | 55 | 279.36 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.21 | 2.58 | -35.69 | 2 | 5 | 0 | 61 | 278.352 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.21 | 1.92 | -50.31 | 3 | 5 | 1 | 59 | 279.36 | 5 | ↓ |