| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 20 | Yes |
Popular Name: (2R)-1-(azepan-1-yl)-2-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]propan-1-one (2R)-1-(azepan-1-yl)-2-[[(1S,8R)…
| 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) | 1.73 | 5.12 | -37.91 | 2 | 4 | 1 | 40 | 280.436 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.73 | 4.07 | -8.17 | 1 | 4 | 0 | 36 | 279.428 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.73 | 6.58 | -37.71 | 2 | 4 | 1 | 37 | 280.436 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
