| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 20 | Yes |
Popular Name: (2S,3R)-2-amino-3-methyl-1-[4-(2-thienylmethyl)piperazin-1-yl]pentan-1-one (2S,3R)-2-amino-3-methyl-1-[4-(2…
| 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) | 1.34 | 4.01 | -45.07 | 3 | 4 | 1 | 51 | 296.46 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.34 | 3.7 | -8.2 | 2 | 4 | 0 | 50 | 295.452 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.34 | 6.22 | -105.55 | 4 | 4 | 2 | 52 | 297.468 | 5 | ↓ |
