| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2009 | 18 | Yes |
Popular Name: 3-[[(2S)-2-(diethylamino)-2-phenyl-ethyl]amino]propanenitrile 3-[[(2S)-2-(diethylamino)-2-phen…
| 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) | 1.57 | 6.82 | -41.06 | 2 | 3 | 1 | 40 | 246.378 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 8.19 | -136.65 | 3 | 3 | 2 | 45 | 247.386 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 6.76 | -52.84 | 2 | 3 | 1 | 44 | 246.378 | 8 | ↓ |
