| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 21 | Yes |
Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-isopropyl-1-methyl-pyrazol-4-yl)methanamine N-(1,3-benzodioxol-5-ylmethyl)-1…
| 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) | 2.44 | 6.55 | -54.58 | 2 | 5 | 1 | 53 | 288.371 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.44 | 5.18 | -10.24 | 1 | 5 | 0 | 48 | 287.363 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
