| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 20 | Yes |
Popular Name: N-ethyl-4-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]pyridine-2-carboxamide N-ethyl-4-[[(1S,8R)-2,3,5,6,7,8-…
| 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) | 1.74 | 4.12 | -43.2 | 3 | 5 | 1 | 58 | 275.376 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 1.6 | -7.58 | 2 | 5 | 0 | 57 | 274.368 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 2.07 | -36.79 | 3 | 5 | 1 | 59 | 275.376 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 4.59 | -90.59 | 4 | 5 | 2 | 60 | 276.384 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
