| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: 3-(N-[(1R)-2-amino-1-(3-methyl-2-thienyl)ethyl]anilino)propanenitrile 3-(N-[(1R)-2-amino-1-(3-methyl-2…
| 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) | 2.16 | 7.7 | -60.4 | 3 | 3 | 1 | 55 | 286.424 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.16 | 7.37 | -6.94 | 2 | 3 | 0 | 53 | 285.416 | 6 | ↓ |
