| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 21 | Yes |
Popular Name: (3S)-1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(6-bromo-2,3-dihydro-1,4…
| 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) | 1.98 | 8.4 | -43.38 | 1 | 5 | 0 | 63 | 356.216 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.98 | 5.94 | -46.6 | 0 | 5 | -1 | 62 | 355.208 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
