| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2010 | 16 | No |
Popular Name: (2R)-3-amino-N-[(3R)-1-ethyl-3-piperidyl]-2-methyl-3-thioxo-propanamide (2R)-3-amino-N-[(3R)-1-ethyl-3-p…
| 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) | -0.12 | 3.37 | -47.13 | 4 | 4 | 1 | 60 | 244.384 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.06 | 1.52 | -42.25 | 3 | 4 | 0 | 66 | 243.376 | 4 | ↓ |
