| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 19 | No |
Popular Name: 2-ethyl-2-[[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]methyl]butanal 2-ethyl-2-[[(3S)-3-(1-piperidyl)…
| 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) | 3.05 | 7.78 | -34.67 | 1 | 3 | 1 | 25 | 267.437 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.05 | 5.61 | -4.54 | 0 | 3 | 0 | 24 | 266.429 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.05 | 9.66 | -111.84 | 2 | 3 | 2 | 26 | 268.445 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
