In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 21 | Yes |
Popular Name: 4-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)ethyl]phenol 4-[(1R)-1-(2,3-dihydro-1,4-benzo…
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) | 2.48 | 5.3 | -49.03 | 3 | 4 | 1 | 55 | 286.351 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 6.08 | -69.93 | 2 | 4 | 0 | 58 | 285.343 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.