| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 21 | Yes |
Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine (1S)-1-(1,3-benzodioxol-5-yl)-N-…
| 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) | 0.40 | 2.4 | -53.54 | 3 | 6 | 1 | 67 | 289.359 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 4.36 | -135.15 | 4 | 6 | 2 | 68 | 290.367 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
