| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 16 | Yes |
Popular Name: (2S)-1-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-2-methyl-azepane (2S)-1-[[(3S)-3-ethylpyrrolidin-…
| 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) | 2.95 | 7.21 | -100.26 | 3 | 2 | 2 | 21 | 226.408 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.95 | 5.83 | -37.71 | 2 | 2 | 1 | 20 | 225.4 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
