| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 25 | Yes |
Popular Name: (2S)-1-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-3-prop-2-ynoxy-propan-2-ol (2S)-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) | 2.43 | 7.11 | -48.63 | 2 | 5 | 1 | 52 | 360.455 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.43 | 5 | -13.05 | 1 | 5 | 0 | 51 | 359.447 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
