| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 18 | Yes |
Popular Name: 2-[1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]imidazol-2-yl]sulfanylacetic 2-[1-[(1S,8R)-2,3,5,6,7,8-hexahy…
| 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) | 0.70 | 8.05 | -70.17 | 1 | 5 | 0 | 62 | 267.354 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.70 | 5.54 | -44.97 | 0 | 5 | -1 | 61 | 266.346 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.70 | 8.53 | -89.05 | 2 | 5 | 1 | 64 | 268.362 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
