| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 21 | Yes |
Popular Name: (2S,3R)-2-amino-1-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-3-methyl-pentan-1-one (2S,3R)-2-amino-1-[4-[(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) | 2.14 | 4.64 | -46.05 | 3 | 4 | 1 | 51 | 330.905 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.14 | 4.35 | -6.83 | 2 | 4 | 0 | 50 | 329.897 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.14 | 6.85 | -110.7 | 4 | 4 | 2 | 52 | 331.913 | 5 | ↓ |
