In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 18 | Yes |
Popular Name: 1-[[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]methyl]cycloheptanol 1-[[[(1R,8R)-2,3,5,6,7,8-hexahyd…
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) | 2.49 | 3.81 | -39.24 | 3 | 3 | 1 | 40 | 253.41 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.49 | 5.81 | -33.12 | 3 | 3 | 1 | 37 | 253.41 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.