In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 2010 | 22 | Yes |
Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(2R,4S,5R)-5-ethylquinuclidin-2-yl]methanamine N-(1,3-benzodioxol-5-ylmethyl)-1…
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) | 3.29 | 7.13 | -34.8 | 2 | 4 | 1 | 35 | 303.426 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.29 | 6.32 | -47.99 | 2 | 4 | 1 | 38 | 303.426 | 5 | ↓ |