| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 18 | Yes |
Popular Name: (2S)-3-[(3-amino-4-methoxy-phenyl)methyl-ethyl-amino]-2-methyl-propanenitrile (2S)-3-[(3-amino-4-methoxy-pheny…
| 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) | 2.12 | 5.76 | -46.8 | 3 | 4 | 1 | 63 | 248.35 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.12 | 3.92 | -6.8 | 2 | 4 | 0 | 62 | 247.342 | 6 | ↓ |
