| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 20 | Yes |
Popular Name: (3S)-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[[(3R)-2,3-dihydro-1,4-be…
| 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) | 1.48 | 7.93 | -52.46 | 1 | 5 | 0 | 63 | 277.32 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.48 | 5.41 | -53.56 | 0 | 5 | -1 | 62 | 276.312 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
