| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 21 | Yes |
Popular Name: (3R)-3-amino-4-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-4-oxo-butanamide (3R)-3-amino-4-[4-[(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) | 0.74 | -0.44 | -42.07 | 5 | 6 | 1 | 94 | 331.849 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | -0.8 | -12.57 | 4 | 6 | 0 | 93 | 330.841 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.74 | 1.77 | -108.27 | 6 | 6 | 2 | 95 | 332.857 | 5 | ↓ |
