| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2009 | 20 | Yes |
Popular Name: (3S)-3-[[(2S)-2-(diethylamino)-2-phenyl-ethyl]amino]pentanenitrile (3S)-3-[[(2S)-2-(diethylamino)-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) | 2.79 | 8.05 | -29.83 | 2 | 3 | 1 | 40 | 274.432 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.79 | 9.4 | -116.88 | 3 | 3 | 2 | 45 | 275.44 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.79 | 7.99 | -42.26 | 2 | 3 | 1 | 44 | 274.432 | 9 | ↓ |
