| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 16 | Yes |
Popular Name: (2S)-1-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methyl]-2-methyl-azepane (2S)-1-[[(2S,4S)-4-methoxypyrrol…
| 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) | 1.96 | 4.53 | -29.48 | 2 | 3 | 1 | 26 | 227.372 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.96 | 3.89 | -35.1 | 2 | 3 | 1 | 29 | 227.372 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.96 | 5.66 | -110.91 | 3 | 3 | 2 | 30 | 228.38 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
