| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 21 | Yes |
Popular Name: [(3S,5R)-4-(2-dimethylaminoethyl)-3,5-dimethyl-piperazin-1-yl]-(3-pyridyl)methanone [(3S,5R)-4-(2-dimethylaminoethyl…
| 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) | 0.25 | 4.92 | -43.91 | 1 | 5 | 1 | 41 | 291.419 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.25 | 2.45 | -9.54 | 0 | 5 | 0 | 40 | 290.411 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.25 | 6.88 | -114.23 | 2 | 5 | 2 | 42 | 292.427 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
