| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 17th, 2009 | 19 | Yes |
Popular Name: (3S)-3-[[(2R)-2-(diethylamino)-2-phenyl-ethyl]amino]butanenitrile (3S)-3-[[(2R)-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) | 2.25 | 8.31 | -32.25 | 2 | 3 | 1 | 40 | 260.405 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 8.87 | -114.62 | 3 | 3 | 2 | 45 | 261.413 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 7.3 | -43.39 | 2 | 3 | 1 | 44 | 260.405 | 8 | ↓ |
