| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2011 | 21 | Yes |
Popular Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-isobutyl-1H-pyrazol-5-amine 3-(3,4-dihydro-2H-1,5-benzodioxe…
None
| 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) | 2.87 | 6.56 | -9.21 | 2 | 5 | 0 | 59 | 287.363 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.87 | 6.68 | -31.98 | 3 | 5 | 1 | 60 | 288.371 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
