| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 20 | Yes |
Popular Name: (2R)-3-[ethyl-[3-(hydroxymethyl)-2-quinolyl]amino]-2-methyl-propanenitrile (2R)-3-[ethyl-[3-(hydroxymethyl)…
| 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) | 2.56 | 7.03 | -9.14 | 1 | 4 | 0 | 60 | 269.348 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.56 | 7.22 | -32.3 | 2 | 4 | 1 | 61 | 270.356 | 5 | ↓ |
