| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 14 | Yes |
Popular Name: (2S)-2-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]azepane (2S)-2-methyl-1-[[(2S)-pyrrolidi…
| 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) | 2.26 | 6.69 | -106.12 | 3 | 2 | 2 | 21 | 198.354 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.26 | 5.56 | -26.91 | 2 | 2 | 1 | 16 | 197.346 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.26 | 4.95 | -32.42 | 2 | 2 | 1 | 20 | 197.346 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
