| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 18 | Yes |
Popular Name: (1S)-N-methyl-1-(3-pyridyl)-N-(3-pyridylmethyl)ethane-1,2-diamine (1S)-N-methyl-1-(3-pyridyl)-N-(3…
| 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) | -0.35 | 2.48 | -60 | 3 | 4 | 1 | 57 | 243.334 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.35 | 2.42 | -7.46 | 2 | 4 | 0 | 55 | 242.326 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.35 | 4.33 | -130.45 | 4 | 4 | 2 | 58 | 244.342 | 5 | ↓ |
