In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 19 | Yes |
Popular Name: [6-methyl-2-[3-(4-pyridyl)propoxy]-3-pyridyl]methanamine [6-methyl-2-[3-(4-pyridyl)propox…
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) | 1.32 | 3.68 | -46.5 | 3 | 4 | 1 | 63 | 258.345 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.32 | 3.26 | -8.52 | 2 | 4 | 0 | 61 | 257.337 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.32 | 4.14 | -88.39 | 4 | 4 | 2 | 64 | 259.353 | 6 | ↓ |