In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 18 | Yes |
Popular Name: 2-[[3-(aminomethyl)-6-methyl-2-pyridyl]-methyl-amino]-N-propyl-acetamide 2-[[3-(aminomethyl)-6-methyl-2-p…
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) | 0.82 | 3.98 | -107.08 | 5 | 5 | 2 | 74 | 252.362 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.82 | 3 | -12.98 | 3 | 5 | 0 | 71 | 250.346 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.82 | 3.42 | -61.46 | 4 | 5 | 1 | 73 | 251.354 | 6 | ↓ |