| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 20 | No |
Popular Name: (2S)-3-[[3-(chloromethyl)-2-quinolyl]-ethyl-amino]-2-methyl-propanenitrile (2S)-3-[[3-(chloromethyl)-2-quin…
| 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) | 3.80 | 10.46 | -8.5 | 0 | 3 | 0 | 40 | 287.794 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.80 | 10.9 | -33.95 | 1 | 3 | 1 | 41 | 288.802 | 5 | ↓ |
