| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 17 | Yes |
Popular Name: 3-[[(1S)-2-amino-1-(3-methyl-2-thienyl)ethyl]-isopropyl-amino]propanenitrile 3-[[(1S)-2-amino-1-(3-methyl-2-t…
| 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) | 1.14 | 3.89 | -54.11 | 3 | 3 | 1 | 55 | 252.407 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 3.45 | -6.32 | 2 | 3 | 0 | 53 | 251.399 | 6 | ↓ |
