| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: 2-[[(1S)-2-amino-1-(5-chloro-2-thienyl)ethyl]-propyl-amino]-N-methyl-acetamide 2-[[(1S)-2-amino-1-(5-chloro-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) | 1.92 | 2.08 | -60.94 | 4 | 4 | 1 | 60 | 290.84 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.92 | 1.78 | -9.18 | 3 | 4 | 0 | 58 | 289.832 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.92 | 3.61 | -32.88 | 4 | 4 | 1 | 60 | 290.84 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.92 | 3.86 | -132.25 | 5 | 4 | 2 | 61 | 291.848 | 7 | ↓ |
