| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: (2S)-3-[[(1R,2R)-2-amino-1-(5-bromo-2-thienyl)propyl]-ethyl-amino]-2-methyl-propanenitrile (2S)-3-[[(1R,2R)-2-amino-1-(5-br…
| 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) | 2.87 | 4.9 | -52.36 | 3 | 3 | 1 | 55 | 331.303 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.87 | 4.58 | -5.01 | 2 | 3 | 0 | 53 | 330.295 | 6 | ↓ |
