| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 26 | Yes |
Popular Name: (2R)-1-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-3-isobutoxy-propan-2-ol (2R)-1-[1,3-benzodioxol-5-ylmeth…
| 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) | 3.39 | 7.79 | -45.34 | 2 | 5 | 1 | 52 | 378.514 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | 5.63 | -10.2 | 1 | 5 | 0 | 51 | 377.506 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
