| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 20 | Yes |
Popular Name: (2S)-2-amino-1-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-3-methyl-butan-1-one (2S)-2-amino-1-[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) | 1.64 | 4.06 | -45.15 | 3 | 4 | 1 | 51 | 316.878 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.64 | 3.69 | -8.37 | 2 | 4 | 0 | 50 | 315.87 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.64 | 6.29 | -109.18 | 4 | 4 | 2 | 52 | 317.886 | 4 | ↓ |
