| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 16 | Yes |
Popular Name: (2S)-3-[[(1S)-2-amino-1-(5-bromo-2-thienyl)ethyl]-methyl-amino]-2-methyl-propanenitrile (2S)-3-[[(1S)-2-amino-1-(5-bromo…
| 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 | 4.26 | -56.83 | 3 | 3 | 1 | 55 | 303.249 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.09 | 3.43 | -6.33 | 2 | 3 | 0 | 53 | 302.241 | 5 | ↓ |
