| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 21 | Yes |
Popular Name: [(3S,5R)-4-[3-(dimethylamino)propyl]-3,5-dimethyl-piperazin-1-yl]-(2-thienyl)methanone [(3S,5R)-4-[3-(dimethylamino)pro…
| 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) | 2.13 | 6.42 | -42.17 | 1 | 4 | 1 | 28 | 310.487 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.13 | 8.48 | -108.15 | 2 | 4 | 2 | 29 | 311.495 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.13 | 6.01 | -43.28 | 1 | 4 | 1 | 28 | 310.487 | 5 | ↓ |
