| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 17 | No |
Popular Name: 2,2-dimethyl-3-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]propanal 2,2-dimethyl-3-[(3R)-3-(1-piperi…
| 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) | 2.38 | 6.67 | -36.47 | 1 | 3 | 1 | 25 | 239.383 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.38 | 4.52 | -4.74 | 0 | 3 | 0 | 24 | 238.375 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.38 | 8.6 | -109.82 | 2 | 3 | 2 | 26 | 240.391 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
