| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 17 | Yes |
Popular Name: (1R,2S)-N1-ethyl-N2-methyl-N2-(2-pyridylmethyl)cyclopentane-1,2-diamine (1R,2S)-N1-ethyl-N2-methyl-N2-(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) | 1.61 | 8 | -107.93 | 3 | 3 | 2 | 34 | 235.375 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 5.84 | -2.56 | 1 | 3 | 0 | 28 | 233.359 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 6.24 | -34.58 | 2 | 3 | 1 | 33 | 234.367 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.61 | 6.65 | -89.45 | 3 | 3 | 2 | 34 | 235.375 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.61 | 7.47 | -28.74 | 2 | 3 | 1 | 29 | 234.367 | 5 | ↓ |
