| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 18 | Yes |
Popular Name: (2S)-3-ethyl-N',N'-dimethyl-N-(3-pyridylmethyl)pentane-1,2-diamine (2S)-3-ethyl-N',N'-dimethyl-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) | 2.40 | 6.03 | -42.19 | 2 | 3 | 1 | 33 | 250.41 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 7.16 | -37.58 | 2 | 3 | 1 | 29 | 250.41 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 7.49 | -125.43 | 3 | 3 | 2 | 34 | 251.418 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.40 | 7.59 | -85.98 | 3 | 3 | 2 | 31 | 251.418 | 8 | ↓ |
