In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2010 | 16 | Yes |
Popular Name: (10R)-2,3,6,7,9,10-hexahydro-[1,4]dioxino[2,3-h][3]benzoxepin-10-amine (10R)-2,3,6,7,9,10-hexahydro-[1,…
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) | -1.11 | 2.17 | -43.09 | 3 | 4 | 1 | 55 | 222.264 | 0 | ↓ |
Hi High (pH 8-9.5) | -1.11 | 1.99 | -5.94 | 2 | 4 | 0 | 54 | 221.256 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.