| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2009 | 19 | No |
Popular Name: (3S)-3-[4-(2-pyridyl)piperazin-1-yl]pentanethioamide (3S)-3-[4-(2-pyridyl)piperazin-1…
| 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) | 1.08 | 6.69 | -88.76 | 4 | 4 | 2 | 48 | 280.441 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.08 | 4.95 | -8.94 | 2 | 4 | 0 | 45 | 278.425 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.08 | 5.29 | -35.43 | 3 | 4 | 1 | 47 | 279.433 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.08 | 6.37 | -38.51 | 3 | 4 | 1 | 47 | 279.433 | 5 | ↓ |
