| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: 2-[[(1R,2R)-2-amino-1-(5-chloro-2-thienyl)propyl]-isopropyl-amino]acetamide 2-[[(1R,2R)-2-amino-1-(5-chloro-…
| 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) | 1.24 | 0.34 | -48.79 | 5 | 4 | 1 | 74 | 290.84 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.24 | 0.04 | -6.4 | 4 | 4 | 0 | 72 | 289.832 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.24 | 1.58 | -32.04 | 5 | 4 | 1 | 74 | 290.84 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.24 | 1.9 | -112.69 | 6 | 4 | 2 | 75 | 291.848 | 6 | ↓ |
