| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 20 | Yes |
Popular Name: 2-[(1S)-1-(1,3-benzodioxol-5-ylmethylamino)ethyl]phenol 2-[(1S)-1-(1,3-benzodioxol-5-ylm…
| 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) | 3.29 | 4.94 | -47.22 | 3 | 4 | 1 | 55 | 272.324 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.29 | 3.65 | -9.34 | 2 | 4 | 0 | 51 | 271.316 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.29 | 5.73 | -49.72 | 2 | 4 | 0 | 58 | 271.316 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
