| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 20 | Yes |
Popular Name: (1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4H-1,2,4-triazol-3-ylmethyl)ethanamine (1S)-1-(3,4-dihydro-2H-1,5-benzo…
| 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) | 0.79 | 5.92 | -44.35 | 3 | 6 | 1 | 77 | 275.332 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.79 | 5.75 | -37.39 | 2 | 6 | 0 | 75 | 274.324 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
