In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 19 | Yes |
Popular Name: 1-[1-[3-(aminomethyl)-6-methyl-2-pyridyl]-4-piperidyl]-N,N-dimethyl-methanamine 1-[1-[3-(aminomethyl)-6-methyl-2…
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) | 1.13 | 7.43 | -167.44 | 5 | 4 | 3 | 49 | 265.425 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.13 | 7.08 | -73.62 | 4 | 4 | 2 | 48 | 264.417 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.13 | 6.98 | -96.96 | 4 | 4 | 2 | 48 | 264.417 | 4 | ↓ |