In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 15 | Yes |
Popular Name: 1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]piperidin-4-amine 1-[(1S,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) | 0.15 | 2.74 | -83.94 | 4 | 3 | 2 | 35 | 211.353 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.15 | 0.17 | -42.15 | 3 | 3 | 1 | 34 | 210.345 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.15 | 4.6 | -100.33 | 4 | 3 | 2 | 35 | 211.353 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.