| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 18 | Yes |
Popular Name: (2S)-3-[ethyl-[(2-methoxy-5-methyl-phenyl)methyl]amino]-2-methyl-propanenitrile (2S)-3-[ethyl-[(2-methoxy-5-meth…
| 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) | 3.08 | 9.03 | -42.15 | 1 | 3 | 1 | 37 | 247.362 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.08 | 7.21 | -6.2 | 0 | 3 | 0 | 36 | 246.354 | 6 | ↓ |
