| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 16 | Yes |
Popular Name: (2S)-3-[(4-amino-2-bromo-phenyl)methyl-methyl-amino]-2-methyl-propanenitrile (2S)-3-[(4-amino-2-bromo-phenyl)…
| 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) | 2.09 | 6.63 | -42.41 | 3 | 3 | 1 | 54 | 283.193 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.09 | 4.53 | -6.05 | 2 | 3 | 0 | 53 | 282.185 | 4 | ↓ |
