| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 15 | Yes |
Popular Name: (3S)-N1,N3-dimethyl-N1-(2-pyridylmethyl)butane-1,3-diamine (3S)-N1,N3-dimethyl-N1-(2-pyridy…
| 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) | 0.96 | 3.46 | -39.18 | 2 | 3 | 1 | 33 | 208.329 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.96 | 4.51 | -35.45 | 2 | 3 | 1 | 29 | 208.329 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.96 | 4.19 | -80.9 | 3 | 3 | 2 | 34 | 209.337 | 6 | ↓ |
