| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 20 | Yes |
Popular Name: (3S)-3-amino-4-oxo-4-[4-(2-thienylmethyl)piperazin-1-yl]butanamide (3S)-3-amino-4-oxo-4-[4-(2-thien…
| 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) | -0.06 | -1.07 | -41.09 | 5 | 6 | 1 | 94 | 297.404 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.06 | -1.43 | -12.42 | 4 | 6 | 0 | 93 | 296.396 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.06 | 1.16 | -103.13 | 6 | 6 | 2 | 95 | 298.412 | 5 | ↓ |
