In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2010 | 18 | Yes |
Popular Name: 6-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-pyridin-2-amine 6-(aminomethyl)-N-[(4-fluorophen…
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) | 1.96 | 6.48 | -46.29 | 3 | 3 | 1 | 44 | 246.309 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.96 | 6.08 | -5.77 | 2 | 3 | 0 | 42 | 245.301 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.96 | 6.44 | -110.13 | 4 | 3 | 2 | 45 | 247.317 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.96 | 6.05 | -29.82 | 3 | 3 | 1 | 43 | 246.309 | 4 | ↓ |