| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 18 | No |
Popular Name: (2S)-2-methyl-2-[[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]methyl]butanal (2S)-2-methyl-2-[[(3S)-3-(1-pipe…
| 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) | 2.71 | 7.33 | -34.57 | 1 | 3 | 1 | 25 | 253.41 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.71 | 5.17 | -4.78 | 0 | 3 | 0 | 24 | 252.402 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.71 | 9.22 | -111.07 | 2 | 3 | 2 | 26 | 254.418 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
