| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: 3-(N-[(1S,2R)-2-amino-1-(3-methyl-2-thienyl)propyl]anilino)propanenitrile 3-(N-[(1S,2R)-2-amino-1-(3-methy…
| 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) | 2.56 | 8.32 | -54.98 | 3 | 3 | 1 | 55 | 300.451 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.56 | 7.15 | -5.38 | 2 | 3 | 0 | 53 | 299.443 | 6 | ↓ |
