In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 14th, 2011 | 18 | Yes |
Popular Name: (3R)-1-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-pyrrolidin-3-amine (3R)-1-(1,3-benzodioxol-5-ylmeth…
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) | 1.91 | 4.79 | -40.91 | 2 | 4 | 1 | 35 | 249.334 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.91 | 3.64 | -43.16 | 2 | 4 | 1 | 38 | 249.334 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.91 | 5.99 | -119.46 | 3 | 4 | 2 | 40 | 250.342 | 4 | ↓ |