| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 18 | Yes |
Popular Name: (3R)-4-[(6-chloro-3-pyridyl)methyl]-3-isopropyl-piperazin-2-one (3R)-4-[(6-chloro-3-pyridyl)meth…
| 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) | 1.60 | 2.76 | -8.7 | 1 | 4 | 0 | 45 | 267.76 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 4.65 | -50.04 | 2 | 4 | 1 | 46 | 268.768 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
