| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 17th, 2009 | 15 | Yes |
Popular Name: (3S)-3-[2-(diisopropylamino)ethylamino]butanenitrile (3S)-3-[2-(diisopropylamino)ethy…
| 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) | 1.26 | 5.31 | -32.21 | 2 | 3 | 1 | 40 | 212.361 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.26 | 3.24 | -5.7 | 1 | 3 | 0 | 39 | 211.353 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.26 | 4.45 | -44.5 | 2 | 3 | 1 | 44 | 212.361 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.26 | 6.5 | -113.03 | 3 | 3 | 2 | 45 | 213.369 | 7 | ↓ |
