In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 16 | Yes |
Popular Name: 1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-N-methyl-piperidin-4-amine 1-[(1R,8R)-2,3,5,6,7,8-hexahydro…
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) | 1.06 | 5.13 | -79.53 | 3 | 3 | 2 | 24 | 225.38 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.06 | 2.56 | -38.2 | 2 | 3 | 1 | 23 | 224.372 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.06 | 5.44 | -99.79 | 3 | 3 | 2 | 21 | 225.38 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.