| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 22 | Yes |
Popular Name: (2S)-1-[1,3-benzodioxol-5-ylmethyl-[(5-methyl-2-thienyl)methyl]amino]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) | 2.88 | 6.9 | -41.32 | 2 | 4 | 1 | 43 | 320.434 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.88 | 4.99 | -7.74 | 1 | 4 | 0 | 42 | 319.426 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
