| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 25 | Yes |
Popular Name: 1-adamantyl-[(3R,5R)-4-(2-dimethylaminoethyl)-3,5-dimethyl-piperazin-1-yl]methanone 1-adamantyl-[(3R,5R)-4-(2-dimeth…
| 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) | 3.18 | 8.88 | -43.36 | 1 | 4 | 1 | 28 | 348.555 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.18 | 6.41 | -7.02 | 0 | 4 | 0 | 27 | 347.547 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.18 | 10.94 | -121.6 | 2 | 4 | 2 | 29 | 349.563 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
