| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2010 | 19 | Yes |
Popular Name: 3-[[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxy-ethyl]amino]-N-methyl-propanamide 3-[[(2S)-2-(1,3-benzodioxol-5-yl…
| 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) | -0.17 | -0.14 | -55.04 | 4 | 6 | 1 | 84 | 267.305 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.17 | -1.54 | -13.06 | 3 | 6 | 0 | 80 | 266.297 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
