| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 17 | Yes |
Popular Name: (3S)-3-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]azepan-2-one (3S)-3-[[(1R,8R)-2,3,5,6,7,8-hex…
| 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) | 0.64 | 4.47 | -40.71 | 3 | 4 | 1 | 46 | 238.355 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.64 | 1.97 | -6.57 | 2 | 4 | 0 | 44 | 237.347 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.64 | 2.03 | -39.45 | 3 | 4 | 1 | 49 | 238.355 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
