In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 20 | Yes |
Popular Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-isopropyl-pyrrolidin-3-amine (3S)-N-(2,3-dihydro-1,4-benzodio…
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) | 1.83 | 4.81 | -43.97 | 2 | 4 | 1 | 38 | 277.388 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.83 | 6.02 | -35.34 | 2 | 4 | 1 | 35 | 277.388 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.83 | 3.6 | -5.8 | 1 | 4 | 0 | 34 | 276.38 | 4 | ↓ |